SCHEMBL5413480

SCHEMBL5413480

Nc1cnn(CCS(=O)(=O)O)c1NCCO

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.32
CYP2D6 P10635 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
SCHEMBL14445193 0.92 CDK1 (0.31) CDK1
SCHEMBL5423085 0.89 CDK1 (0.32) CDK1CYP2D6
SCHEMBL5420777 0.84 CDK1 (0.33) CDK1
SCHEMBL5416163 0.84 ALDH1A1 (0.35) CDK1
SCHEMBL5707080 0.84 CYP1A2 (0.35) CDK1CYP2D6
SCHEMBL14445194 0.82 CDK1 (0.32) CDK1
SCHEMBL5416172 0.81 CDK1 (0.32) CDK1
SCHEMBL14445202 0.81 APP (0.35) CDK1
SCHEMBL14445231 0.79 CCNA2 (0.30)
SCHEMBL14445191 0.77 ALDH1A1 (0.34) CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed