SCHEMBL6960829

SCHEMBL6960829

COCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
AGTR1 P30556 3/20 0.37
AGTR2 P50052 3/20 0.37
HDAC8 Q9BY41 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 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
SCHEMBL6956454 0.86 GP6 (0.41) AGTR1AGTR2
SCHEMBL6957640 0.86 TSHR (0.43) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL14281809 0.85 CHEK1 (0.35) BRD4CREBBP
SCHEMBL6961186 0.84 GP6 (0.37) AGTR1AGTR2
SCHEMBL6955822 0.84 TP53 (0.41) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL20329633 0.83 CHEK1 (0.31) AGTR1AGTR2
SCHEMBL6961580 0.83 GP6 (0.36) AGTR1AGTR2
SCHEMBL1773521 0.82 FYN (0.39) AGTR1AGTR2
SCHEMBL6956942 0.82 GP6 (0.36) AGTR1AGTR2
SCHEMBL6961100 0.81 NPC1 (0.39) AGTR1AGTR2PDE4APDE4BPDE4C

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