SCHEMBL20334201

SCHEMBL20334201

CC[N+](CC)(CCNc1cccc2c1C(=O)c1c(N)ccc(N)c1C2=O)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ MEN1 O00255 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ MAPT P10636 5/20 0.41
▸ FGB P02675 2/20 0.39
▸ NSD2 O96028 2/20 0.39
▸ MMP14 P50281 2/20 0.39
▸ ADORA2A P29274 4/20 0.39
▸ CSNK1A1 P48729 2/20 0.39
▸ CSNK1D P48730 2/20 0.39
▸ CSNK1G1 Q9HCP0 2/20 0.39
▸ MAOA P21397 2/20 0.39
▸ FGR P09769 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ HIPK2 Q9H2X6 1/20 0.39
▸ POLB P06746 5/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39

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
SCHEMBL23787833 0.94 CYP1A2 (0.52) CYP1A2MEN1KMT2AMAPTFGB
SCHEMBL2552095 0.82 NSD2 (0.51) MEN1KMT2AMAPTFGBNSD2
SCHEMBL14876751 0.81 MAPT (0.54) CYP1A2MEN1KMT2AMAPTFGB
SCHEMBL14876259 0.80 TERT (0.50) MEN1KMT2AMAPTFGBNSD2
SCHEMBL25955392 0.78 TERT (0.51) MEN1KMT2AMAPTFGBNSD2
SCHEMBL13226292 0.78 ADORA2A (0.40) CYP1A2MEN1KMT2AMAPTFGB
SCHEMBL20333884 0.77 FGB (0.53) MEN1KMT2AMAPTFGBNSD2
SCHEMBL23616028 0.76 MEN1 (0.51) MEN1KMT2AMAPTFGBNSD2
SCHEMBL14876513 0.76 NSD2 (0.47) CYP1A2MEN1KMT2AMAPTFGB
SCHEMBL10777184 0.74 MAPT (0.58) MEN1KMT2AMAPTFGBNSD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558235-B1 USE OF ANTHRAQUINONE DYES AND OF FLUORESCENT DYES FOR DYEING KERATIN FIBRES, DYEING PROCESS AND COMPOSITION OREAL (FR) 2021-09-08 — — EP disclosed
WO-2018115337-A1 USE OF ANTHRAQUINONE DYES AND OF FLUORESCENT DYES FOR DYEING KERATIN FIBRES, DYEING PROCESS AND COMPOSITION L'OREAL (FR) 2018-06-28 — — WO disclosed
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