SCHEMBL8100528

SCHEMBL8100528

Cc1oc(-c2cc(N)ccc2N(CCO)CCO)c(C)c1N

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
NSD2 O96028 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 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
SCHEMBL8074928 0.83 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7808563 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL7462605 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL6570840 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL8091145 0.76 S100B (0.35)
SCHEMBL7809861 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL6570740 0.75 ALDH1A1 (0.38) ALDH1A1
SCHEMBL7809828 0.74
SCHEMBL8105942 0.74 CASP1 (0.36) ALDH1A1
SCHEMBL7459407 0.73 ALDH1A1 (0.35) ALDH1A1

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-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed