SCHEMBL6068683

SCHEMBL6068683

Nc1cnn(CCNCCO)c1N1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.32
SIGMAR1 Q99720 2/20 0.32
SMPD3 Q9NY59 2/20 0.31
PLAU P00749 1/20 0.31
TERT O14746 1/20 0.31
HRH4 Q9H3N8 2/20 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
SCHEMBL5411849 0.77 TERT (0.33) TERT
SCHEMBL5414497 0.72 TERT (0.30) TERT
SCHEMBL6068673 0.71 SIGMAR1 (0.35) SIGMAR1SMPD3
SCHEMBL6068853 0.69 ELOVL1 (0.39) SLC29A1SIGMAR1SMPD3
SCHEMBL12943112 0.69 SIGMAR1 (0.32) SIGMAR1
SCHEMBL3945812 0.68 TSHR (0.30)
SCHEMBL14838485 0.67 SMPD3 (0.40) SMPD3HRH4
SCHEMBL6068366 0.67 SMPD3 (0.39) SMPD3
SCHEMBL6069260 0.66 KMO (0.42)
Bromide SCHEMBL6068862 0.66 SMPD3 (0.38) SMPD3

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