SCHEMBL6954183

SCHEMBL6954183

CCC(=O)Nc1ccc2oc(C(=N)NN)cc(=O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.48
MAOA P21397 4/20 0.48
POLB P06746 4/20 0.47
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ATM Q13315 1/20 0.46
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.44
PDE10A Q9Y233 1/20 0.43
GPR35 Q9HC97 1/20 0.42
RECQL P46063 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
SCHEMBL6963052 0.87 SMN1; SMN2 (0.48) MAOBMAOAPOLBNPC1RAB9A
SCHEMBL6957586 0.87 SMN1; SMN2 (0.48) MAOBMAOAPOLBNPC1RAB9A
SCHEMBL6960427 0.86 KMT2A (0.58) MAOBMAOAPOLBKMT2ANPC1
SCHEMBL7897421 0.83 MAOB (0.47) MAOBMAOAPOLBKMT2ANPC1
SCHEMBL6960638 0.80 MAOB (0.57) MAOBMAOAPOLBKMT2ANPC1
SCHEMBL6951992 0.80 KDM1A (0.46) MAOBMAOAPOLBNPC1RAB9A
SCHEMBL6955311 0.80 KDM1A (0.46) MAOBMAOAPOLBNPC1RAB9A
SCHEMBL6957308 0.80 POLB (0.66) MAOBMAOAPOLBKMT2ANPC1
SCHEMBL6956750 0.78 POLB (0.56) MAOAPOLBKMT2ANPC1RAB9A
SCHEMBL6961447 0.78 POLB (0.56) MAOAPOLBKMT2ANPC1RAB9A

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 5 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
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed