SCHEMBL7899059

SCHEMBL7899059

CCCOc1ccc(C(=O)Nc2ccc3oc(C(N)=S)cc(=O)c3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
GPR35 Q9HC97 1/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 11/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
MCL1 Q07820 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TP53 P04637 5/20 0.52
RXFP1 Q9HBX9 2/20 0.51
THRB P10828 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MAOA P21397 1/20 0.48

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
SCHEMBL7896357 0.96 POLB (0.55) POLBGPR35RAB9AMEN1KMT2A
SCHEMBL7899216 0.93 POLB (0.52) POLBGPR35RAB9AMEN1KMT2A
SCHEMBL7896345 0.93 POLB (0.52) POLBGPR35RAB9AMEN1KMT2A
SCHEMBL7897072 0.92 POLB (0.65) POLBGPR35RAB9AMEN1KMT2A
SCHEMBL7889536 0.87 MAOA (0.60) POLBGPR35RAB9AMEN1KMT2A
SCHEMBL6961447 0.87 POLB (0.56) POLBGPR35RAB9AMEN1KMT2A
SCHEMBL7896325 0.86 MCHR1 (0.47) POLBGPR35KMT2AMAPTTP53
SCHEMBL7897057 0.86 RUVBL1 (0.59) POLBGPR35MAPT
SCHEMBL7889305 0.86 MAOA (0.51) POLBRAB9AMEN1KMT2ANPC1
SCHEMBL7899221 0.85 RUVBL1 (0.58) POLBGPR35MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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