SCHEMBL7834952

SCHEMBL7834952

COCc1cccc(OC)c1OCc1nc2cc(-n3ccnc3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
CBFB Q13951 1/20 0.37
F9 P00740 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.36
CYP19A1 P11511 1/20 0.36
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL7834959 0.93 CBFB (0.46) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7830706 0.93 NPC1 (0.46) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7834944 0.92 MAOA (0.41) MAOAMAOBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7821793 0.92 NPC1 (0.46) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7833671 0.89 NPC1 (0.43) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7837220 0.88 NPC1 (0.43) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7830709 0.85 CBFB (0.50) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7834948 0.85 CBFB (0.45) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL7830427 0.84 CYP11B1 (0.47) MAOAMAOBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7821802 0.84 CBFB (0.49) MAOAMAOBNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894795-B1 Benzimidazole, benzoxazole and benzothiazole derivatives, their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-06-06 EP disclosed
US-6040327-A INHIBITORS OF INTERLEUKINS; TREATING RHEUMATOID ARTHRITIS OR ARTHROSIS ADIR ET COMPAGNIE (FR) 2000-03-21 US disclosed
EP-0894795-A1 Benzimidazole, benzoxazole and benzothiazole derivatives, their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-02-03 EP disclosed