SCHEMBL6068607

SCHEMBL6068607

NC(=O)CCCn1ncc(N)c1N1CCCC1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.38
AR P10275 1/20 0.34
HTR1A P08908 6/20 0.34
HTR7 P34969 6/20 0.34
DPP4 P27487 4/20 0.33
PIK3CA P42336 4/20 0.32
SYK P43405 2/20 0.32
MAT2A P31153 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
SCHEMBL5414579 0.70 KMO (0.36)
SCHEMBL6068463 0.68 ELANE (0.34) ELANEARPIK3CA
SCHEMBL14445212 0.66 PTGIR (0.38)
SCHEMBL5420279 0.65 PTGIR (0.40)
SCHEMBL6068787 0.64
SCHEMBL5426976 0.62 TSHR (0.36)
SCHEMBL13723813 0.62 SYK (0.46) ELANEARPIK3CASYKMAT2A
SCHEMBL15129357 0.62 ELANE (0.47) ELANEARSYKMAT2A
SCHEMBL77156 0.62 SYK (0.46) ELANEARPIK3CASYKMAT2A
SCHEMBL6068784 0.62 PTGIR (0.38)

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