SCHEMBL6955274

SCHEMBL6955274

BrCCCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.34
AGTR1 P30556 2/20 0.32
AGTR2 P50052 2/20 0.32
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
HSD11B1 P28845 4/20 0.32
MAOB P27338 2/20 0.32
FFAR4 Q5NUL3 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DCUN1D2 Q6PH85 1/20 0.31
DCUN1D1 Q96GG9 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
SCHEMBL6957576 0.96 GP6 (0.36) GP6AGTR1AGTR2HSD11B1
SCHEMBL6956844 0.95 GP6 (0.35) GP6AGTR1AGTR2HSD11B1
SCHEMBL6961815 0.92 TDP1 (0.39) GP6AGTR1AGTR2PTGER1PTGER4
SCHEMBL6949584 0.87 LTA4H (0.37) GP6AGTR1AGTR2PTGER1PTGER4
SCHEMBL6951798 0.86 AKT2 (0.41) GP6AGTR1AGTR2MAOBNPC1
SCHEMBL6953051 0.86 HSD11B1 (0.47) AGTR1AGTR2HSD11B1NPC1TP53
SCHEMBL6960893 0.86 CA2 (0.35) GP6AGTR1AGTR2PTGER1PTGER4
SCHEMBL3376281 0.85 TRPA1 (0.35) GP6AGTR1AGTR2TSHRDCUN1D2
SCHEMBL29366164 0.85 TRPA1 (0.35) GP6AGTR1AGTR2TSHRDCUN1D2
SCHEMBL6956381 0.85 CA2 (0.36) GP6AGTR1AGTR2HSD11B1

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