SCHEMBL6232818

SCHEMBL6232818

COC(=O)c1cc2ccccc2nc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 8/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.45
RAB9A P51151 1/20 0.45
PKM P14618 2/20 0.44
PLIN1 O60240 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
PLIN5 Q00G26 1/20 0.44
MCL1 Q07820 1/20 0.44
ABHD5 Q8WTS1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL68891 0.90 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL28703252 0.88 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL9631891 0.88 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL70017 0.83 ALDH1A1 (0.61) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL30034075 0.83 ALDH1A1 (0.61) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL9630469 0.82 ALDH1A1 (0.55) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL28389068 0.82 ALDH1A1 (0.59) KDM4EALDH1A1MEN1KMT2AMAPT
Water SCHEMBL10472756 0.82 ALDH1A1 (0.59) KDM4EALDH1A1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL9622111 0.82 ALDH1A1 (0.59) KDM4EALDH1A1MEN1KMT2AMAPT
Water SCHEMBL10410161 0.82 ALDH1A1 (0.59) KDM4EALDH1A1MEN1KMT2AMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1004582-B1 Pyridazino quinoline compounds ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
US-6737424-B2 THERAPY FOR NERVOUS SYSTEM DISORDERS ZENECA LTD. (GB) 2004-05-18 US disclosed
US-6214826-B1 NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 2001-04-10 US disclosed
EP-0724583-B1 PYRIDAZINO QUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2000-12-13 EP disclosed
CN-1053189-C pyridazino quinoline compounds ZENECA LTD (GB) 2000-06-07 CN disclosed
EP-1004582-A2 Pyridazino quinoline compounds AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
CN-1138332-A Pyridazinoquinoline compounds ZENECA LTD (GB) 1996-12-18 CN disclosed