SCHEMBL20334197

SCHEMBL20334197

Nc1ccc(N)c2c1C(=O)c1cccc(NCCOCCOS(=O)(=O)O)c1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.43
▸ MMP14 P50281 2/20 0.43
▸ FGB P02675 2/20 0.43
▸ KMT2A Q03164 7/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ POLB P06746 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ BLM P54132 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ EGFR P00533 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TERT O14746 2/20 0.39
▸ ADORA2A P29274 4/20 0.37

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
SCHEMBL20334294 0.86 NSD2 (0.52) NSD2MMP14FGBKMT2AMEN1
SCHEMBL25955447 0.83 CYP19A1 (0.47) NSD2MMP14KMT2AMEN1POLB
SCHEMBL10581062 0.78 NSD2 (0.63) NSD2MMP14FGBKMT2AMEN1
SCHEMBL20333876 0.77 NPC1 (0.47) NSD2MMP14KMT2AMEN1POLB
SCHEMBL15859645 0.76 NSD2 (0.61) NSD2MMP14FGBKMT2AMEN1
SCHEMBL31616803 0.74 KMT2A (0.61) NSD2MMP14FGBKMT2AMEN1
SCHEMBL7829735 0.74 NSD2 (0.55) NSD2MMP14FGBKMT2AMEN1
SCHEMBL7112285 0.73 KMT2A (0.62) NSD2MMP14FGBKMT2AMEN1
SCHEMBL20333884 0.73 FGB (0.53) NSD2MMP14FGBKMT2AMEN1
SCHEMBL23787760 0.72 NSD2 (0.56) NSD2MMP14FGBKMT2AMEN1

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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