SCHEMBL9892609

SCHEMBL9892609

N#CCCCCCCn1c(=O)n(CCCCCCN=C=O)c(=O)n(CCCCCCN=C=O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CCNT1 O60563 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL13126817 1.00 NPSR1 (0.39) NPSR1MAPTCSNK2A1CCNT1CCNA2
SCHEMBL10291104 1.00 NPSR1 (0.39) NPSR1MAPTCSNK2A1CCNT1CCNA2
SCHEMBL14052249 1.00 NPSR1 (0.39) NPSR1MAPTCSNK2A1CCNT1CCNA2
SCHEMBL13110348 0.88
SCHEMBL18820203 0.88
SCHEMBL23458559 0.88
SCHEMBL86400 0.88
SCHEMBL23350769 0.88
SCHEMBL20782902 0.88
SCHEMBL18020188 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142831-A1 HIGH-GLOSS POLYURETHANE COATINGS PREPARED FROM ALLOPHANATE/POLYISOCYANATE HARDENER COMPOSITIONS PERSTORP FRANCE (FR) 2012-06-07 US disclosed
US-20110039971-A1 Modified Polyurethane Acrylate SIEGWERK BENELUX SA (BE) 2011-02-17 US disclosed