SCHEMBL5414744

SCHEMBL5414744

COCCCn1ncc(N)c1NCCN

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30
EHMT1 Q9H9B1 1/20 0.30
MAPT P10636 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
SCHEMBL14445366 0.92 ALDH1A1 (0.37) ALDH1A1MAPK1MAPT
SCHEMBL14445365 0.92 LMNA (0.31) ALDH1A1MAPT
SCHEMBL14445364 0.88 MAPK1 (0.33) ALDH1A1MAPK1MAPT
SCHEMBL14445362 0.86 ALDH1A1 (0.33) ALDH1A1MAPK1MAPT
SCHEMBL14445361 0.82 ALDH1A1 (0.38) ALDH1A1MAPK1MAPT
SCHEMBL14445363 0.82 ALDH1A1 (0.36) ALDH1A1MAPK1MAPT
SCHEMBL5418831 0.81 CYP2C9 (0.35)
SCHEMBL14445367 0.80 MAPK1 (0.38) ALDH1A1MAPK1EHMT2EHMT1MAPT
SCHEMBL14445308 0.80 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL14445360 0.79 CNR1 (0.34) ALDH1A1MAPK1MAPT

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