SCHEMBL6962767

SCHEMBL6962767

N=C(NN)c1ccc(CCCCCCCCCCCCCCCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
MAOB P27338 2/20 0.48
HDAC8 Q9BY41 1/20 0.47
SIGMAR1 Q99720 5/20 0.47
SPHK1 Q9NYA1 4/20 0.46
MAOA P21397 1/20 0.46
NOS1 P29475 1/20 0.45
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL6958147 1.00 HDAC1 (0.54) HDAC1MAOBHDAC8SIGMAR1SPHK1
SCHEMBL6957250 0.98 HDAC1 (0.51) HDAC1MAOBHDAC8SIGMAR1SPHK1
SCHEMBL6962838 0.91 PLAU (0.51) HDAC1MAOBHDAC8MAOANOS1
SCHEMBL6953213 0.87 PLA2G4B (0.56) MAOA
SCHEMBL6950680 0.87 PLA2G4B (0.56) MAOA
SCHEMBL6962917 0.85 F10 (0.45) HDAC1MAOBSIGMAR1SPHK1MAOA
SCHEMBL6955519 0.85 F10 (0.45) HDAC1MAOBSIGMAR1SPHK1MAOA
SCHEMBL6962301 0.85 SPHK2 (0.53) SPHK1MAPT
SCHEMBL6951086 0.85 SPHK2 (0.53) SPHK1MAPT
SCHEMBL6961292 0.85 PLA2G4B (0.54)

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