SCHEMBL8412913

SCHEMBL8412913

NCCCCCC1=NCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 7/20 0.39
NOS1 P29475 7/20 0.39
NOS2 P35228 7/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH1 P35367 6/20 0.33
SIGMAR1 Q99720 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
DNM1 Q05193 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL6188279 0.86
SCHEMBL8953464 0.81
SCHEMBL11355992 0.81 MEN1 (0.39) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL192000 0.79
SCHEMBL8015557 0.76 CYP2D6 (0.41) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL3659904 0.74 MEN1 (0.38) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL21317763 0.72
SCHEMBL17550453 0.72 ALDH1A1 (0.32) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL11486608 0.71
SCHEMBL8958802 0.69

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013493-B1 A NOVEL ALIPHATIC TRIISOCYANATE, A METHOD FOR PRODUCING THE SAME AND A POLYURETHANE COATING COMPOSITION PREPARED THEREFROM TORAY INDUSTRIES, INC. (JP) 1983-03-23 EP claimed
EP-0013493-A1 A novel aliphatic triisocyanate, a method for producing the same and a polyurethane coating composition prepared therefrom TORAY INDUSTRIES, INC. (JP) 1980-07-23 EP claimed
US-4172848-A BY HYDROGENATION OF 7-(5*-AMINOPENTYL)-3,4,5,6-TETRAHYDRO-2H-AZEPINE IN THE PRESENCE OF A CATALYST IN A H2SO4 DILUENT TORAY INDUSTRIES, INC. (JP) 1979-10-30 US claimed
JP-60081161-A None JP disclosed
JP-56039071-A None JP disclosed
JP-54103805-A None JP disclosed
JP-56129223-A None JP disclosed
WO-1999052865-A1 PURIFICATION OF CAPROLACTAM FROM RECYCLED NYLON MIDWEST RESEARCH INSTITUTE (US) 1999-10-21 WO disclosed
US-5919927-A PYROLYSIS POLYCAPROLACTAM; DISSOLVING IN SOLVENT; SUPPLYING CARBON DIOXIDE TO FORM PRECIPITATE; REMOVAL MIDWEST RESEARCH INSTITUTE (US) 1999-07-06 US disclosed
US-4804753-A Process for the preparation of Schiff's bases BAYER AKTIENGESELLSCHAFT (DE) 1989-02-14 US disclosed
US-4694086-A FUNGICIDES TORAY INDUSTRIES, INC. (JP) 1987-09-15 US disclosed
EP-0013493-B1 A NOVEL ALIPHATIC TRIISOCYANATE, A METHOD FOR PRODUCING THE SAME AND A POLYURETHANE COATING COMPOSITION PREPARED THEREFROM TORAY INDUSTRIES, INC. (JP) 1983-03-23 EP disclosed
US-4304731-A PHOSGENATION TORAY INDUSTRIES, INCORPORATED (JP) 1981-12-08 US disclosed
JP-S56129223-A MANUFACTURE OF HIGHLY VISCOUS POLYAMIDE TORAY IND INC 1981-10-09 JP disclosed
US-4276228-A POLYURETHANE MONOMER OF REDUCED TOXICITY TORAY INDUSTRIES, INC. (JP) 1981-06-30 US disclosed
JP-S5639071-A PRODUCTION OF AMINO-SCHIFF BASE TORAY IND INC 1981-04-14 JP disclosed
EP-0013493-A1 A novel aliphatic triisocyanate, a method for producing the same and a polyurethane coating composition prepared therefrom TORAY INDUSTRIES, INC. (JP) 1980-07-23 EP disclosed
US-4172848-A BY HYDROGENATION OF 7-(5*-AMINOPENTYL)-3,4,5,6-TETRAHYDRO-2H-AZEPINE IN THE PRESENCE OF A CATALYST IN A H2SO4 DILUENT TORAY INDUSTRIES, INC. (JP) 1979-10-30 US disclosed
US-4172848-A BY HYDROGENATION OF 7-(5*-AMINOPENTYL)-3,4,5,6-TETRAHYDRO-2H-AZEPINE IN THE PRESENCE OF A CATALYST IN A H2SO4 DILUENT TORAY INDUSTRIES, INC. (JP) 1979-10-30 US disclosed
JP-S54103805-A PREPARATION OF 1, 11-UNDECANEDIAMINE TORAY IND INC 1979-08-15 JP disclosed