SCHEMBL14445191

SCHEMBL14445191

COCCNc1c(N)cnn1CCCS(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
PTGER4 P35408 2/20 0.33
HTR4 Q13639 3/20 0.33
SYK P43405 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HCAR3 P49019 1/20 0.32
CDK1 P06493 1/20 0.31
NCF1 P14598 1/20 0.30
LMNA P02545 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
SCHEMBL5416163 0.93 ALDH1A1 (0.35) ALDH1A1MAPTPTGER4HTR4SYK
SCHEMBL14445193 0.85 CDK1 (0.31) CDK1
SCHEMBL14445202 0.85 APP (0.35) CDK1LMNA
SCHEMBL14445366 0.85 ALDH1A1 (0.37) ALDH1A1MAPTPTGER4KDM4EHCAR3
SCHEMBL5425430 0.84 CDK1 (0.32) CDK1
SCHEMBL14445361 0.82 ALDH1A1 (0.38) ALDH1A1MAPTPTGER4KDM4EHCAR3
SCHEMBL5417295 0.81 APP (0.31) CDK1
SCHEMBL14445233 0.79 PTGER4 (0.38) ALDH1A1MAPTPTGER4KDM4EHCAR3
SCHEMBL14445308 0.79 ALDH1A1 (0.34) ALDH1A1MAPTPTGER4KDM4ELMNA
SCHEMBL14445195 0.79 KMO (0.32) 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 2 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