SCHEMBL6954145

SCHEMBL6954145

CCCCOc1ccc(C(=O)Nc2ccc3oc(C#N)cc(=O)c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 4/20 0.50
NR1H4 Q96RI1 2/20 0.50
LMNA P02545 1/20 0.48
STAT3 P40763 1/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 2/20 0.48
GPR35 Q9HC97 1/20 0.46

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
SCHEMBL6960480 0.97 NR1H4 (0.52) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6949295 0.97 NR1H4 (0.52) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6956732 0.96 RAB9A (0.53) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6962606 0.92 POLB (0.57) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6954269 0.87 RUVBL1 (0.58) MAPTTP53NR1H4POLBGPR35
SCHEMBL6956513 0.87 MAOA (0.52) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6956188 0.86 RUVBL1 (0.57) TP53NR1H4POLBGPR35
SCHEMBL6957659 0.86 MCHR1 (0.47) MAPTSMN1; SMN2TP53NR1H4POLB
SCHEMBL6957301 0.85 THRB (0.49) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6962073 0.84 TRPV1 (0.43) MAPTMEN1KMT2ARAB9ASMN1; SMN2

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