SCHEMBL13636830

SCHEMBL13636830

C=Cc1cc(C(c2cc(C)c(N)c(CC)c2)c2c(Cl)cccc2Cl)cc(CC)c1N

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL12374432 0.94 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12374450 0.82 POLB (0.36) ALDH1A1CYP1A1CYP1A2HTT
SCHEMBL13069412 0.77 CYP1A2 (0.40) ALDH1A1CYP1A1CYP1A2
SCHEMBL14123442 0.75 PNMT (0.35) ALDH1A1CYP1A2
SCHEMBL14117907 0.74 PNMT (0.34) ALDH1A1CYP1A2
SCHEMBL22044346 0.70 HTT (0.41) ALDH1A1CYP1A1CYP1A2MAPTHTT
SCHEMBL22051842 0.68 ALDH1A1 (0.41) ALDH1A1MAPTHTT
SCHEMBL12374434 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5010062 0.67 GAA (0.40) CYP1A1CYP1A2MAPTHTT
SCHEMBL22050364 0.66 CHRNB2 (0.38) ALDH1A1MAPTHTT

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-8303671-B2 Mixture of basic dye and acid dye with wax XEROX CORPORATION (US) 2012-11-06 US disclosed