SCHEMBL7003847

SCHEMBL7003847

Clc1nccc2ccc(OCc3ccccc3)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.61
PLAT P00750 1/20 0.61
ALOX5 P09917 1/20 0.57
CYP3A4 P08684 3/20 0.55
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
IP6K1 Q92551 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
MTNR1A P48039 1/20 0.46
KMT2A Q03164 1/20 0.46
CA9 Q16790 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
SCHEMBL6999241 0.85 MAOB (0.46) PLAUPLATALOX5CYP3A4MAOA
SCHEMBL855876 0.77 IP6K1 (0.56) ALOX5CYP3A4MAOAMAOBIP6K1
SCHEMBL26928558 0.77 MAOA (0.48) PLAUPLATALOX5CYP3A4MAOA
SCHEMBL3899573 0.77 IP6K1 (0.56) PLAUPLATALOX5CYP3A4MAOA
SCHEMBL1244080 0.75 CA12 (0.44) CYP3A4MAOAMEN1CA12CA1
SCHEMBL30339592 0.74 ALOX5 (0.53) ALOX5CYP3A4MAOAMAOBNPC1
SCHEMBL190551 0.74 ALOX5 (0.53) ALOX5CYP3A4MAOAMAOBNPC1
SCHEMBL1526883 0.74 PLAU (0.55) PLAUCYP3A4RAB9ADYRK1ALMNA
SCHEMBL29923293 0.74 PLAU (0.55) PLAUCYP3A4RAB9ADYRK1ALMNA
SCHEMBL5445887 0.74 NR1H2 (0.53) MAOAMAOB

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