SCHEMBL6961380

SCHEMBL6961380

COc1ccc(C(=O)Nc2ccc3oc(C(=N)NN)cc(=O)c3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.61
ACHE P22303 2/20 0.56
KMT2A Q03164 3/20 0.53
MAPT P10636 4/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 2/20 0.50
TP53 P04637 3/20 0.49
GPR35 Q9HC97 3/20 0.49
THRB P10828 1/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALOX15 P16050 1/20 0.49
MAOB P27338 3/20 0.48
DUSP3 P51452 1/20 0.48
PTPN11 Q06124 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
SCHEMBL6951795 0.91 MAOA (0.52) MAOAACHEKMT2AMAPTALDH1A1
SCHEMBL6952243 0.89 MAOA (0.50) MAOAACHEKMT2AMAPTALDH1A1
SCHEMBL6957308 0.89 POLB (0.66) MAOAKMT2AMAPTALDH1A1KDM4E
SCHEMBL6961447 0.87 POLB (0.56) MAOAKMT2AMAPTALDH1A1KDM4E
SCHEMBL6956750 0.87 POLB (0.56) MAOAKMT2AMAPTKDM4EMEN1
SCHEMBL6960638 0.86 MAOB (0.57) MAOAACHEKMT2AMAPTALDH1A1
SCHEMBL7889536 0.85 MAOA (0.60) MAOAACHEKMT2AMAPTALDH1A1
SCHEMBL6961044 0.85 POLB (0.53) MAOAKMT2AMAPTKDM4EMEN1
SCHEMBL6951043 0.85 POLB (0.53) MAOAKMT2AMAPTKDM4EMEN1
SCHEMBL6957666 0.82 POLB (0.48) MAOAACHEKMT2AMAPTALDH1A1

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