SCHEMBL6957666

SCHEMBL6957666

CC(CCOc1ccc(C(=O)Nc2ccc3oc(C(=N)NN)cc(=O)c3c2)cc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
MCHR1 Q99705 2/20 0.46
NR1H4 Q96RI1 2/20 0.46
MAPT P10636 4/20 0.45
RUVBL1 Q9Y265 1/20 0.45
MAOA P21397 1/20 0.44
GPR35 Q9HC97 1/20 0.43
MAOB P27338 1/20 0.43
KMT2A Q03164 3/20 0.42
DUSP3 P51452 1/20 0.42
PTPN11 Q06124 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACHE P22303 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7896325 0.88 MCHR1 (0.47) POLBMCHR1NR1H4MAPTRUVBL1
SCHEMBL6961447 0.87 POLB (0.56) POLBMAPTMAOAGPR35KMT2A
SCHEMBL6956750 0.87 POLB (0.56) POLBNR1H4MAPTMAOAGPR35
SCHEMBL6950678 0.86 RUVBL1 (0.59) POLBMCHR1NR1H4MAPTRUVBL1
SCHEMBL6961338 0.86 RUVBL1 (0.58) POLBMCHR1NR1H4MAPTRUVBL1
SCHEMBL6960326 0.85 GPR35 (0.62) NR1H4GPR35
SCHEMBL6957308 0.85 POLB (0.66) POLBMAPTMAOAGPR35MAOB
SCHEMBL6961044 0.84 POLB (0.53) POLBNR1H4MAPTRUVBL1MAOA
SCHEMBL6951043 0.84 POLB (0.53) POLBNR1H4MAPTRUVBL1MAOA
SCHEMBL6957659 0.84 MCHR1 (0.47) POLBMCHR1NR1H4MAPTRUVBL1

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