SCHEMBL6957301

SCHEMBL6957301

CC(C)Oc1ccc(C(=O)Nc2ccc3oc(C#N)cc(=O)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
MAPT P10636 10/20 0.47
TP53 P04637 6/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
POLB P06746 2/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 3/20 0.46
LMNA P02545 2/20 0.46
MCL1 Q07820 1/20 0.46
MAPK1 P28482 1/20 0.46
MAOA P21397 1/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
HTT P42858 2/20 0.45
CYP2C9 P11712 2/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 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
SCHEMBL6956513 0.89 MAOA (0.52) THRBMAPTTP53NPC1RAB9A
SCHEMBL6962606 0.87 POLB (0.57) MAPTTP53NPC1RAB9APOLB
SCHEMBL6962073 0.87 TRPV1 (0.43) THRBMAPTNPC1RAB9APOLB
SCHEMBL6956732 0.85 RAB9A (0.53) THRBMAPTTP53NPC1RAB9A
SCHEMBL6954145 0.85 MAPT (0.53) MAPTTP53NPC1RAB9APOLB
SCHEMBL6956722 0.83 MAOB (0.50) NPC1RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL6957659 0.83 MCHR1 (0.47) MAPTTP53POLBSMN1; SMN2
SCHEMBL6960480 0.82 NR1H4 (0.52) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL6949295 0.82 NR1H4 (0.52) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL7889305 0.82 MAOA (0.51) THRBMAPTTP53NPC1RAB9A

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-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed