SCHEMBL6952885

SCHEMBL6952885

CCCCCCCCCCCCCCCc1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 2/20 0.49
TP53 P04637 2/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
HSD11B1 P28845 1/20 0.47
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 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
SCHEMBL6957211 1.00 RAB9A (0.49) RAB9ASMN1; SMN2TSHRTP53NPC1
SCHEMBL6956946 0.94 RAB9A (0.55) RAB9ASMN1; SMN2TSHRTP53NPC1
SCHEMBL6952769 0.87 RAB9A (0.45) RAB9ASMN1; SMN2TSHRTP53NPC1
SCHEMBL6957300 0.86 HSD11B1 (0.47) RAB9ASMN1; SMN2TSHRTP53NPC1
SCHEMBL6949197 0.86 HSD11B1 (0.47) RAB9ASMN1; SMN2TSHRTP53NPC1
SCHEMBL6957566 0.86 MAOB (0.42) MAPTHSD11B1HTR2A
SCHEMBL6960108 0.86 MAOB (0.42) MAPTHSD11B1HTR2A
SCHEMBL6962342 0.84 MAOB (0.43) RAB9ASMN1; SMN2TSHRTP53NPC1
SCHEMBL6957496 0.82 LPL (0.44) HSD11B1LPLLIPG
SCHEMBL6956763 0.82 LPL (0.44) HSD11B1LPLLIPG

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 5 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
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed