SCHEMBL2829502

SCHEMBL2829502

O=c1ccc(-c2cccc(Br)c2)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
IDO1 P14902 1/20 0.51
METAP2 P50579 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 4/20 0.50
PDE4A P27815 3/20 0.50
PDE4B Q07343 3/20 0.50
PDE4C Q08493 3/20 0.50
PDE4D Q08499 3/20 0.50
GPR119 Q8TDV5 1/20 0.48
PDE3B Q13370 4/20 0.48
PDE3A Q14432 4/20 0.48
RAB9A P51151 3/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL11742008 0.98 CYP1A2 (0.61) CYP1A2IDO1METAP2MEN1KMT2A
SCHEMBL10353459 0.87 CYP1A2 (0.74) CYP1A2MEN1KMT2ALMNAPDE4A
SCHEMBL7298232 0.81 CYP1A2 (0.65) CYP1A2MEN1KMT2ALMNAPDE4A
SCHEMBL2152938 0.79 CYP1A2 (0.62) CYP1A2METAP2MEN1KMT2ALMNA
SCHEMBL4048920 0.79 CYP1A2 (0.62) CYP1A2IDO1MEN1KMT2ALMNA
SCHEMBL1301730 0.79 CYP1A2 (0.62) CYP1A2IDO1MEN1KMT2ALMNA
SCHEMBL11628763 0.79 KMT2A (0.64) CYP1A2IDO1METAP2MEN1KMT2A
SCHEMBL11374474 0.79 IDO1 (0.51) IDO1METAP2MEN1KMT2ALMNA
SCHEMBL10066830 0.79 CYP1A2 (0.62) CYP1A2METAP2MEN1KMT2ALMNA
SCHEMBL928226 0.78 LMNA (0.67) CYP1A2METAP2MEN1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4052395-A AGRICULTURAL FUNGICIDAL COMPOSITIONS CONTAINING 6-(SUBSTITUTED PHENYL)-PYRIDAZINONES AND SAID PYRIDAZINONES SANKYO COMPANY LIMITED (JA) 1977-10-04 US claimed
WO-2010069504-A1 (3-OXO)PYRIDIN-4-YLUREA DERIVATIVES AS PDE4 INHIBITORS ALMIRALL, S.A. (ES) 2010-06-24 WO disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed
EP-2196465-A1 (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2010-06-16 EP disclosed
CN-1078444-C Iungicidal silicon-contraining compounds, their preparation and their agrochemical and medicinal uses SANKYO CO (JP) 2002-01-30 CN disclosed
CN-1173281-A Iungicidal silicon-contraining compounds, their preparation and their agrochemical and medicinal uses SANKYO CO (JP) 1998-02-18 CN disclosed
CN-1037102-C Process for preparing silicon-containing fungicidal compounds SANKYO CO (JP) 1998-01-21 CN disclosed
EP-0537957-B1 Fungicidal silicon-containing compounds, their preparation and their agrochemical and medicinal uses SANKYO CO (JP) 1997-02-12 EP disclosed
EP-0431968-B1 Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents SANKYO CO (JP) 1995-03-15 EP disclosed
CN-1027538-C Process for preparation of oxetane derivatives SANKYO CO (JP) 1995-02-01 CN disclosed
EP-0072238-B1 PYRIDAZINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN AGRICULTURAL COMPOSITIONS AND THE TREATMENT OF SEED AND PLANTS SANKYO COMPANY LIMITED (JP) 1985-11-06 EP disclosed
EP-0057440-B1 AMINOPYRIMIDINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND FUNGICIDAL, INSECTICIDAL AND ACARICIDAL COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1985-05-22 EP disclosed
EP-0103114-A2 Thienopyridine derivatives, their preparation and insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1984-03-21 EP disclosed
US-4435402-A Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY, LIMITED (JP) 1984-03-06 US disclosed
EP-0094082-A1 Isoxazolinone derivatives, process for their preparation and insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1983-11-16 EP disclosed
EP-0089650-A1 Process for producing antifungal pyridazinone derivatives and certain novel compounds produced by such a process SANKYO COMPANY LIMITED (JP) 1983-09-28 EP disclosed
EP-0072238-A1 Pyridazinone derivatives, their preparation and their use in agricultural compositions and the treatment of seed and plants SANKYO COMPANY LIMITED (JP) 1983-02-16 EP disclosed
EP-0057440-A1 Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1982-08-11 EP disclosed
US-4092311-A Hypotensive alkyl-3-[6-(aryl)-3-pyridazinyl]-carbazates AMERICAN CYANAMID COMPANY (US) 1978-05-30 US disclosed
US-4052395-A AGRICULTURAL FUNGICIDAL COMPOSITIONS CONTAINING 6-(SUBSTITUTED PHENYL)-PYRIDAZINONES AND SAID PYRIDAZINONES SANKYO COMPANY LIMITED (JA) 1977-10-04 US disclosed