SCHEMBL8945262

SCHEMBL8945262

N#CCCCCCCn1c(=O)n(CCCCCCC#N)c(=O)n(CCCCCCC#N)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.43
CSNK2A1 P68400 3/20 0.40
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CNR2 P34972 1/20 0.35
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33

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
SCHEMBL16004445 0.98 NPSR1 (0.52) NPSR1MAPTCSNK2A1CCNT1CDK9
SCHEMBL16004435 0.91 NPSR1 (0.53) NPSR1MAPTCSNK2A1CA2CA9
SCHEMBL22023805 0.86 NPSR1 (0.40) NPSR1MAPTCSNK2A1CCNT1CDK9
SCHEMBL14052249 0.84 NPSR1 (0.39) NPSR1MAPTCSNK2A1CCNT1CDK9
SCHEMBL13126817 0.84 NPSR1 (0.39) NPSR1MAPTCSNK2A1CCNT1CDK9
SCHEMBL10291104 0.84 NPSR1 (0.39) NPSR1MAPTCSNK2A1CCNT1CDK9
SCHEMBL9892609 0.84 NPSR1 (0.39) NPSR1MAPTCSNK2A1CCNT1CDK9
SCHEMBL190388 0.80 NPSR1 (0.69) NPSR1MAPTCSNK2A1HSD17B10KDM4E
SCHEMBL21037232 0.79 PDE4A (0.43) NPSR1MAPTCSNK2A1CCNT1CDK9
SCHEMBL21713290 0.74 CYP1A2 (0.37) NPSR1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559174-A Electrocoating composition of a polyamine self-condensed epoxy adduct and coatings produced thereby BASF CORPORATION (US) 1996-09-24 US disclosed
US-5525650-A ALSO CONTAINING BLOCKED POLYISOCYANATE CROSSLINKER, GRIND RESIN, PLASTICIZER, PIGMENTS; PROTECTIVE COATINGS BASF CORPORATION (US) 1996-06-11 US disclosed
EP-0449962-B1 AN ELECTROCOATING COMPOSITION OF A POLYAMINE SELF-CONDENSED EPOXY ADDUCT AND COATINGS PRODUCED THEREBY BASF CORP (US) 1996-02-28 EP disclosed
EP-0449962-A4 AN ELECTROCOATING COMPOSITION OF A POLYAMINE SELF-CONDENSED EPOXY ADDUCT AND COATINGS PRODUCED THEREBY 1992-07-22 EP disclosed
EP-0449962-A1 AN ELECTROCOATING COMPOSITION OF A POLYAMINE SELF-CONDENSED EPOXY ADDUCT AND COATINGS PRODUCED THEREBY. BASF CORP (US) 1991-10-09 EP disclosed
WO-1990006971-A1 AN ELECTROCOATING COMPOSITION OF A POLYAMINE SELF-CONDENSED EPOXY ADDUCT AND COATINGS PRODUCED THEREBY BASF CORPORATION (US) 1990-06-28 WO disclosed
US-4920162-A Protective coatings CLARK PETER D (US) 1990-04-24 US disclosed