SCHEMBL23787833

SCHEMBL23787833

CC[N+](CC)(CCCNc1cccc2c1C(=O)c1c(N)ccc(N)c1C2=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.52
▸ FGB P02675 2/20 0.43
▸ NSD2 O96028 2/20 0.43
▸ MMP14 P50281 2/20 0.43
▸ MEN1 O00255 8/20 0.42
▸ KMT2A Q03164 8/20 0.42
▸ MAPT P10636 5/20 0.42
▸ POLB P06746 5/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ BLM P54132 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ EGFR P00533 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ TERT O14746 5/20 0.41

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
SCHEMBL20334201 0.94 CYP1A2 (0.43) CYP1A2FGBNSD2MMP14MEN1
SCHEMBL25955392 0.83 TERT (0.51) FGBNSD2MMP14MEN1KMT2A
SCHEMBL13226292 0.82 ADORA2A (0.40) CYP1A2FGBNSD2MMP14MEN1
SCHEMBL20333884 0.80 FGB (0.53) FGBNSD2MMP14MEN1KMT2A
SCHEMBL13226281 0.77 ADORA2A (0.40) FGBNSD2MMP14MEN1KMT2A
SCHEMBL7829735 0.76 NSD2 (0.55) FGBNSD2MMP14MEN1KMT2A
SCHEMBL14452184 0.76 SMN1; SMN2 (0.49) CYP1A2FGBNSD2MMP14MEN1
SCHEMBL20333859 0.75 TERT (0.66) FGBNSD2MMP14MEN1KMT2A
SCHEMBL13226274 0.75 ADORA2A (0.43) FGBNSD2MMP14MEN1KMT2A
SCHEMBL2552095 0.75 NSD2 (0.51) FGBNSD2MMP14MEN1KMT2A

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
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
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