SCHEMBL6961933

SCHEMBL6961933

CCCCCCCCCCCCCCCOc1ccccc1-c1nnn[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.54
PDE4A P27815 5/20 0.54
PDE4B Q07343 5/20 0.54
PDE4C Q08493 5/20 0.54
PDE4D Q08499 5/20 0.54
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP19A1 P11511 1/20 0.44
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL6959641 1.00 PDE5A (0.54) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6957680 0.94 PDE5A (0.52) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6961624 0.90 PDE5A (0.51) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6956795 0.84 PDE5A (0.49) PDE5AMEN1KMT2AUSP2ALDH1A1
SCHEMBL6960625 0.84 IDO1 (0.48) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6952842 0.84 IDO1 (0.48) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6963013 0.82 IDO1 (0.49) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL11631828 0.82 PDE5A (0.49) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6953203 0.79 IDO1 (0.52) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL16582005 0.78 MEN1 (0.57) PDE5APDE4APDE4BPDE4CPDE4D

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