SCHEMBL6957640

SCHEMBL6957640

c1ccc(COCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
GP6 Q9HCN6 1/20 0.37
HSP90AB1 P08238 1/20 0.36
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
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
GSTP1 P09211 1/20 0.34
DCUN1D2 Q6PH85 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
LTA4H P09960 2/20 0.34

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
SCHEMBL6961280 0.91 GP6 (0.44) TSHRGP6
SCHEMBL6956662 0.89 L3MBTL1 (0.42) GP6PDE4APDE4BPDE4CPDE4D
SCHEMBL6961113 0.88 L3MBTL1 (0.47) GP6LTA4H
SCHEMBL6957447 0.87 L3MBTL1 (0.49) GP6
SCHEMBL6960829 0.86 BRD4 (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL1773521 0.82 FYN (0.39) TSHRAGTR1AGTR2DCUN1D2DCUN1D1
SCHEMBL29034386 0.81 DCUN1D1 (0.45) ADORA2ADCUN1D2DCUN1D1
SCHEMBL29499607 0.81 DCUN1D1 (0.47) ADORA2ADCUN1D2DCUN1D1
SCHEMBL3397570 0.81 DCUN1D1 (0.47) ADORA2ADCUN1D2DCUN1D1
SCHEMBL1132111 0.81 TAAR1 (0.43) LTA4H

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