SCHEMBL6961815

SCHEMBL6961815

BrCCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
GP6 Q9HCN6 1/20 0.35
MAOB P27338 2/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
DCUN1D1 Q96GG9 2/20 0.32
DCUN1D2 Q6PH85 1/20 0.32
AGTR1 P30556 2/20 0.31
AGTR2 P50052 2/20 0.31
BRS3 P32247 1/20 0.31
AKT2 P31751 1/20 0.31

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
SCHEMBL6955274 0.92 GP6 (0.34) GP6MAOBPTGER1PTGER4PTGER3
SCHEMBL6957576 0.90 GP6 (0.36) GP6AGTR1AGTR2BRS3
SCHEMBL6956844 0.89 GP6 (0.35) GP6AGTR1AGTR2
SCHEMBL29366164 0.88 TRPA1 (0.35) GP6DCUN1D1DCUN1D2AGTR1AGTR2
SCHEMBL3376281 0.88 TRPA1 (0.35) GP6DCUN1D1DCUN1D2AGTR1AGTR2
SCHEMBL6956494 0.87 TDP1 (0.40) TDP1GP6MAOBPTGER1PTGER4
SCHEMBL6961100 0.85 NPC1 (0.39) AGTR1AGTR2
SCHEMBL6962359 0.85 MAOB (0.50) GP6MAOBAKT2
SCHEMBL27452763 0.85 TDP1 (0.36) TDP1MAOBDCUN1D1DCUN1D2
SCHEMBL6949584 0.84 LTA4H (0.37) GP6MAOBPTGER1PTGER4PTGER3

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