SCHEMBL6068677

SCHEMBL6068677

COCCn1ncc(N)c1N(CCN)CCN

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.31
LRRK2 Q5S007 1/20 0.31
MPO P05164 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
SCHEMBL6068455 0.91 TDP1 (0.33) TDP1ALDH1A1LMNAALOX15LRRK2
SCHEMBL6068924 0.87 TDP1 (0.31) TDP1ALDH1A1LMNAALOX15MPO
SCHEMBL6068724 0.84 TDP1 (0.33) TDP1ALDH1A1LMNAALOX15LRRK2
SCHEMBL6068975 0.83 MEN1 (0.31)
SCHEMBL15651733 0.81 ALDH1A1 (0.35) TDP1ALDH1A1LMNAALOX15LRRK2
SCHEMBL6068644 0.75
SCHEMBL6068513 0.75 ABL1 (0.30)
SCHEMBL33797 0.75 ALDH1A1 (0.37) TDP1ALDH1A1LMNAALOX15LRRK2
SCHEMBL6068670 0.75 MEN1 (0.33)
Hydrochloric Acid SCHEMBL6282164 0.74 ALDH1A1 (0.36) TDP1ALDH1A1LMNAALOX15LRRK2

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