SCHEMBL6999744

SCHEMBL6999744

[O-][n+]1ccc2ccc(OCc3ccccc3)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.68
MRGPRX4 Q96LA9 1/20 0.49
CYP3A4 P08684 1/20 0.49
NPC1 O15118 4/20 0.47
MAOB P27338 4/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA3 P07451 1/20 0.47
MAOA P21397 1/20 0.47
CA6 P23280 1/20 0.47
MTNR1A P48039 1/20 0.47
CA14 Q9ULX7 1/20 0.47
LCK P06239 1/20 0.46

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
SCHEMBL51460 0.82 ALOX5 (1.00) ALOX5MRGPRX4CYP3A4NPC1MAOB
SCHEMBL8984340 0.82 ALOX5 (0.92) ALOX5MRGPRX4CYP3A4NPC1MAOB
Methyl Alcohol SCHEMBL29235268 0.77 ALOX5 (0.89) ALOX5MRGPRX4CYP3A4NPC1MAOB
SCHEMBL557817 0.77 LMNA (0.57) ALOX5MAOBRAB9ACA12CA1
SCHEMBL28662350 0.77 ALOX5 (0.89) ALOX5MRGPRX4CYP3A4NPC1MAOB
SCHEMBL6992567 0.76 ACHE (0.41) ALOX5KMT2ACA12CA1CA2
SCHEMBL5179465 0.76 GPR84 (0.53) ALOX5MAOBRAB9ACA12CA1
SCHEMBL5443950 0.75 ALOX5 (0.43) ALOX5MRGPRX4MAOBMAOABCHE
SCHEMBL30283523 0.75 KDM4E (0.37) ALOX5CA12CA4CA9PPARG
SCHEMBL3371655 0.75 ALOX5 (0.61) ALOX5MRGPRX4CYP3A4NPC1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023268-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LTD (GB) 2003-05-21 EP disclosed
US-6248738-B1 ANTIULCER AGENTS, ANGIOGENESIS INHIBITORS, ANTIMETASTASIS AGENTS, ANTITUMOR AGENTS PFIZER INC. 2001-06-19 US disclosed
EP-1023268-A1 ISOQUINOLINES AS UROKINASE INHIBITORS Pfizer Limited (GB) 2000-08-02 EP disclosed
WO-1999020608-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LIMITED (GB) 1999-04-29 WO disclosed