SCHEMBL6961044

SCHEMBL6961044

CCCCCCCCOc1ccc(C(=O)Nc2ccc3oc(C(=N)NN)cc(=O)c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
MAPT P10636 3/20 0.52
NR1H4 Q96RI1 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GPR35 Q9HC97 1/20 0.47
CYSLTR2 Q9NS75 5/20 0.47
CYSLTR1 Q9Y271 5/20 0.47
TP53 P04637 1/20 0.47
MAOA P21397 1/20 0.46
NPC1 O15118 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
RUVBL1 Q9Y265 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45

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
SCHEMBL6951043 1.00 POLB (0.53) POLBMAPTNR1H4MEN1KMT2A
SCHEMBL6956750 0.97 POLB (0.56) POLBMAPTNR1H4MEN1KMT2A
SCHEMBL6961447 0.94 POLB (0.56) POLBMAPTMEN1KMT2AKDM4E
SCHEMBL9035006 0.92 GPR35 (0.61) POLBMAPTNR1H4GPR35CYSLTR2
SCHEMBL6957308 0.90 POLB (0.66) POLBMAPTMEN1KMT2AKDM4E
SCHEMBL6961338 0.89 RUVBL1 (0.58) POLBMAPTNR1H4GPR35CYSLTR2
SCHEMBL9036113 0.88 GPR35 (0.67) POLBMAPTNR1H4GPR35CYSLTR2
SCHEMBL6950678 0.88 RUVBL1 (0.59) POLBMAPTNR1H4GPR35CYSLTR2
SCHEMBL7899216 0.87 POLB (0.52) POLBMAPTNR1H4MEN1KMT2A
SCHEMBL7896345 0.87 POLB (0.52) POLBMAPTNR1H4MEN1KMT2A

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
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
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed