SCHEMBL5418378

SCHEMBL5418378

CN(C)CCn1ncc(N)c1NCCO

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
BPTF Q12830 1/20 0.33
CDK1 P06493 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL14445306 0.92 KDM4E (0.37) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL14445305 0.87 CYP2C9 (0.33) BPTFCNR1CNR2HRH3
SCHEMBL5707080 0.85 CYP1A2 (0.35) KDM4ECDK1HRH4
SCHEMBL14445295 0.84 CNR1 (0.33) BPTFCNR1CNR2
SCHEMBL14445304 0.83 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDHSD17B10BPTF
SCHEMBL14445298 0.81 CNR1 (0.33) ALDH1A1BPTFCNR1CNR2
SCHEMBL5405380 0.80 HRH4 (0.34) ALDH1A1CDK1HRH4
SCHEMBL5427359 0.80 CNR1 (0.34) BPTFCNR1CNR2
SCHEMBL14445360 0.80 CNR1 (0.34) ALDH1A1KDM4EHPGDALOX15CDK1
SCHEMBL5418831 0.79 CYP2C9 (0.35) BPTF

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