SCHEMBL6957308

SCHEMBL6957308

CCOc1ccc(C(=O)Nc2ccc3oc(C(=N)NN)cc(=O)c3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
MAPT P10636 8/20 0.52
TP53 P04637 5/20 0.52
NPC1 O15118 4/20 0.50
RXFP1 Q9HBX9 3/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAOA P21397 2/20 0.50
GPR35 Q9HC97 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK10 P53779 1/20 0.46
MAOB P27338 1/20 0.46
ROCK2 O75116 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
SCHEMBL6956750 0.92 POLB (0.56) POLBMAPTTP53NPC1RAB9A
SCHEMBL6961447 0.92 POLB (0.56) POLBMAPTTP53NPC1RXFP1
SCHEMBL6961044 0.90 POLB (0.53) POLBMAPTTP53NPC1RXFP1
SCHEMBL6951043 0.90 POLB (0.53) POLBMAPTTP53NPC1RXFP1
SCHEMBL6961380 0.89 MAOA (0.61) POLBMAPTTP53NPC1RAB9A
SCHEMBL6951795 0.88 MAOA (0.52) POLBMAPTTP53NPC1RAB9A
SCHEMBL6952243 0.86 MAOA (0.50) POLBMAPTNPC1RXFP1RAB9A
SCHEMBL7897072 0.86 POLB (0.65) POLBMAPTTP53NPC1RXFP1
SCHEMBL6957666 0.85 POLB (0.48) POLBMAPTRXFP1SMN1; SMN2MAOA
SCHEMBL6950678 0.85 RUVBL1 (0.59) POLBMAPTTP53MAOAGPR35

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