SCHEMBL23787766

SCHEMBL23787766

NCCOCCCCCNc1ccc(O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.50
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ MTOR P42345 2/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ MEN1 O00255 7/20 0.46
▸ KMT2A Q03164 7/20 0.46
▸ BLM P54132 5/20 0.46
▸ POLB P06746 4/20 0.46
▸ NSD2 O96028 4/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ TOP2B Q02880 1/20 0.45
▸ MAPT P10636 5/20 0.44
▸ MAOA P21397 1/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ NQO1 P15559 3/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ BRCA1 P38398 1/20 0.43
▸ TDP1 Q9NUW8 5/20 0.42
▸ MAPK1 P28482 5/20 0.42

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
SCHEMBL11141088 0.85 CYP19A1 (0.60) CYP19A1NPC1RAB9AMTORSIRT2
SCHEMBL1896432 0.83 CYP19A1 (0.52) CYP19A1NPC1RAB9AMTORSIRT2
SCHEMBL17907875 0.83 CYP19A1 (0.59) CYP19A1NPC1RAB9AMTORSIRT2
SCHEMBL14110308 0.83 TOP2B (0.58) CYP19A1NPC1RAB9AMTORSIRT2
SCHEMBL18984751 0.82 CYP19A1 (0.51) CYP19A1NPC1RAB9AMTORSIRT2
SCHEMBL4399257 0.82 CYP19A1 (0.51) CYP19A1NPC1RAB9AMTORSIRT2
SCHEMBL20334208 0.82 MEN1 (0.58) CYP19A1NPC1RAB9AMTORSIRT2
SCHEMBL27294906 0.81 MEN1 (0.52) NPC1RAB9AMTORSIRT2MEN1
SCHEMBL1897290 0.80 CYP19A1 (0.57) CYP19A1NPC1RAB9AMTORSIRT2
SCHEMBL6666259 0.80 CYP19A1 (0.73) CYP19A1NPC1RAB9AMTORSIRT2

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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