SCHEMBL6952243

SCHEMBL6952243

CC(C)(C)Oc1ccc(C(=O)Nc2ccc3oc(C(=N)NN)cc(=O)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.50
POLB P06746 3/20 0.48
MAOB P27338 6/20 0.46
ACHE P22303 1/20 0.45
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
THRB P10828 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6961380 0.89 MAOA (0.61) MAOAPOLBMAOBACHEKMT2A
SCHEMBL6951795 0.88 MAOA (0.52) MAOAPOLBMAOBACHEKMT2A
SCHEMBL6957308 0.86 POLB (0.66) MAOAPOLBMAOBKMT2AMAPT
SCHEMBL7991328 0.86 MAOA (0.49) MAOAPOLBMAOBACHEKMT2A
SCHEMBL6956750 0.85 POLB (0.56) MAOAPOLBKMT2AMAPTMEN1
SCHEMBL6961447 0.85 POLB (0.56) MAOAPOLBKMT2AMAPTMEN1
SCHEMBL6960638 0.83 MAOB (0.57) MAOAPOLBMAOBACHEKMT2A
SCHEMBL6951043 0.82 POLB (0.53) MAOAPOLBKMT2AMAPTMEN1
SCHEMBL6961044 0.82 POLB (0.53) MAOAPOLBKMT2AMAPTMEN1
SCHEMBL6961252 0.81 GPR35 (0.61)

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 3 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-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