SCHEMBL7598482

SCHEMBL7598482

O=C=NCCCCC(N=C=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.33
KIF11 P52732 2/20 0.33
NAAA Q02083 3/20 0.33
KEAP1 Q14145 3/20 0.33
NFE2L2 Q16236 3/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
DRD2 P14416 1/20 0.30
OPRM1 P35372 1/20 0.30
DRD3 P35462 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL29106963 0.98 NAAA (0.35) MIFKIF11NAAAKEAP1NFE2L2
SCHEMBL11152541 0.95 KIF11 (0.34) MIFKIF11NAAAKEAP1NFE2L2
SCHEMBL692189 0.88 KIF11 (0.32) KIF11
SCHEMBL3882706 0.80 NAAA (0.38) MIFKIF11NAAAKEAP1NFE2L2
SCHEMBL132502 0.78 KIF11 (0.31) KIF11
Water SCHEMBL11440384 0.76
SCHEMBL7732599 0.76 NAAA (0.35) MIFNAAAMAOAMAOB
SCHEMBL28984861 0.74 MIF (0.35) MIF
SCHEMBL5892154 0.72 CYP2C19 (0.33) KIF11
SCHEMBL13133310 0.72 KIF11 (0.34) MIFKIF11NAAAKEAP1NFE2L2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395385-B1 COMPRISING THE REACTION PRODUCT OF A POLYURETHANE PREPOLYMER AND A VINYL CHLORIDE BASED THERMOPLASTIC COPOLYMER; SHEAR THINNING RHEOLOGICAL BEHAVIOR, IMPROVED GREEN STRENGTH, WATER RESISTANCE, AND ADHESION TO VARIETY OF SUBSTRATES ASHLAND INC 2002-05-28 US disclosed
US-20020037415-A1 Laminates prepared with reactive hot melt adhesive ASHLAND INC. 2002-03-28 US disclosed
US-6274674-B1 SOLVENT-FREE; MOISTURE CURABLE ASHLAND INC. 2001-08-14 US disclosed
EP-1077809-A1 REACTIVE HOT MELT ADHESIVE ASHLAND INC. (US) 2001-02-28 EP disclosed
WO-2000050236-A1 REACTIVE HOT MELT ADHESIVE ASHLAND INC. (US) 2000-08-31 WO disclosed
US-4822849-A UNSATURATED POLYESTER REICHHOLD CHEMICALS, INC. (US) 1989-04-18 US disclosed