SCHEMBL9622071

SCHEMBL9622071

COc1ccc(Cn2ccnc2S)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
CMA1 P23946 1/20 0.45
HSP90B1 P14625 1/20 0.45
TP53 P04637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL23204988 0.82 L3MBTL1 (0.60) CYP1A2CYP2D6CYP2C19KMT2AMEN1
SCHEMBL10593221 0.82 LPO (0.58) KMT2AMEN1POLBMAPTKDM4E
SCHEMBL9621682 0.82 SIGMAR1 (0.45) CYP1A2CYP2D6CYP2C19KMT2AMEN1
SCHEMBL12305079 0.81 TP53 (0.50) L3MBTL1POLBMAPTHSP90B1TP53
SCHEMBL9838297 0.80 MEN1 (0.51) CYP1A2CYP2D6CYP2C19KMT2AMEN1
SCHEMBL9836342 0.78 RAB9A (0.48) L3MBTL1MAPTKDM4EHSP90B1TP53
SCHEMBL10574237 0.78 CYP11B1 (0.46) CYP1A2CYP2D6CYP2C19KMT2AMEN1
SCHEMBL1320600 0.78 ALDH1A1 (0.44) CYP1A2CYP2D6CYP2C19KMT2AMEN1
SCHEMBL6348986 0.78 HSD17B10 (0.51) CYP1A2CYP2D6CYP2C19KMT2AMEN1
SCHEMBL8886835 0.77 THRB (0.52) CYP1A2CYP2D6CYP2C19KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260814-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1992-02-05 EP disclosed
US-4992459-A Hypotensive agents, antiulcer agents SMITHKLINE BEECHAM CORPORATION (US) 1991-02-12 US disclosed
EP-0212066-B1 INTERMEDIATES USEFUL IN THE PREPARATION OF DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1990-11-22 EP disclosed
EP-0288488-A4 DOPAMINE- -HYDROXYLASE INHIBITORS 1990-09-12 EP disclosed
US-4935438-A Dopamine-β-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1990-06-19 US disclosed
US-4912226-A A 1-(benyzlsubstituted-),2-((1,3-dioneisoindolin-2-yl)alkyl thio-)imidazole SMITHKLINE BECKMAN CORPORATION (US) 1990-03-27 US disclosed
US-4882348-A HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1989-11-21 US disclosed
US-4863944-A Dopamine-β-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1989-09-05 US disclosed
WO-1989006127-A1 2-AMINOALKYLTHIOIMIDAZOLES AS DOPAMINE-beta-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1989-07-13 WO disclosed
WO-1989006128-A1 2-CARBOXYALKYLTHIOIMIDAZOLES AND ESTERS THEREOF AS DOPAMINE-beta-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1989-07-13 WO disclosed
EP-0308573-A2 Intermediates useful in the preparation of dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1989-03-29 EP disclosed
EP-0125783-B1 DOPAMINE-BETA-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1989-01-04 EP disclosed
EP-0288488-A1 DOPAMINE- -HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1988-11-02 EP disclosed
US-4772723-A Dopamine β-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1988-09-20 US disclosed
EP-0260814-A1 Dopamine-Beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1988-03-23 EP disclosed
WO-1988001267-A1 DOPAMINE-ss-HYDROXYLASE INHIBITORS SMITHKLINE BECKMAN CORPORATION (US) 1988-02-25 WO disclosed
EP-0212066-A1 Intermediates useful in the preparation of dopamine-beta-hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1987-03-04 EP disclosed
US-4532331-A 1-Benzyl-2-aminomethyl imidazole derivatives SMITHKLINE BECKMAN CORPORATION (US) 1985-07-30 US disclosed
EP-0125783-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1984-11-21 EP disclosed
EP-0125033-A1 Dopamine-beta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1984-11-14 EP disclosed