SCHEMBL3599554

SCHEMBL3599554

CSc1nc(NC2CC2)nc(NC(C)(C)C)n1.Cn1sccc1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPK8 P45983 2/20 0.31
MAPK9 P45984 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE7A Q13946 1/20 0.31
PPARG P37231 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
SCHEMBL29363525 0.81 NPSR1 (0.50) GAAHTTTSHRNPSR1MAPK8
SCHEMBL241791 0.81 NPSR1 (0.50) GAAHTTTSHRNPSR1MAPK8
Sulfuric Acid SCHEMBL2315182 0.75 NPSR1 (0.43) GAAHTTTSHRNPSR1MAPK8
SCHEMBL8061442 0.71 CYP2C9 (0.44) NPSR1PDE7APPARG
SCHEMBL8070357 0.68 NPSR1 (0.43) NPSR1MAPK8MAPK9SMN1; SMN2
SCHEMBL8061703 0.68 MEN1 (0.44) GAAHTTNPSR1SMN1; SMN2PDE7A
SCHEMBL8061638 0.68 LMNA (0.54) GAAHTTTSHRSMN1; SMN2
Chlorothalonil SCHEMBL8995729 0.68 NPSR1 (0.39) GAAHTTTSHRNPSR1SMN1; SMN2
Dichlorophen SCHEMBL3685255 0.67 HIF1A (0.41) GAAHTTTSHRNPSR1SMN1; SMN2
SCHEMBL19470805 0.67 NPSR1 (0.36) NPSR1

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-20100240800-A1 BIOCIDAL ELASTOMERIC COMPOSITIONS AND METHODS OF MAKING THE SAME DASH MULTI-CORP (US) 2010-09-23 US claimed
US-20100240800-A1 BIOCIDAL ELASTOMERIC COMPOSITIONS AND METHODS OF MAKING THE SAME DASH MULTI-CORP (US) 2010-09-23 US disclosed