SCHEMBL6068772

SCHEMBL6068772

COC(C)C(C)n1ncc(N)c1N(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 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
SCHEMBL5425218 0.81
SCHEMBL6068345 0.69 SMPD3 (0.33) SMPD3
SCHEMBL6068698 0.67
SCHEMBL6068886 0.67 KMO (0.35)
SCHEMBL6068575 0.67 SMPD3 (0.31) SMPD3
SCHEMBL1497962 0.66
SCHEMBL5707075 0.64 SMPD3 (0.39) SMPD3
SCHEMBL14445279 0.63 SMPD3 (0.30) SMPD3
SCHEMBL6068346 0.62 HTR2C (0.44) SMPD3
SCHEMBL15652360 0.62 MPO (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091350-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2006-08-15 US disclosed