SCHEMBL11391477

SCHEMBL11391477

Cc1cc(NC2=CC(=O)C(NCCO)=CC2=O)c(C)cc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ CASP7 P55210 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ IKBKB O14920 1/20 0.30

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
SCHEMBL15039281 0.80 — —
SCHEMBL17745050 0.79 CASP3 (0.37) MAPTBLMBRD4MEN1KMT2A
SCHEMBL15039273 0.77 S100B (0.31) —
SCHEMBL5158945 0.73 MAPT (0.51) MAPTCASP1CASP7CYP3A4TP53
SCHEMBL123696 0.72 MAPT (0.39) MAPTCASP1CASP7CYP3A4TP53
SCHEMBL15020219 0.71 CYP19A1 (0.36) MAPTCASP1CASP7CYP3A4TP53
SCHEMBL13809514 0.71 MAPT (0.36) MAPTCASP1CASP7CYP3A4TP53
SCHEMBL15513377 0.71 MAPK1 (0.43) CASP7CYP3A4BRD4TSHRMEN1
SCHEMBL15022915 0.70 DNM1 (0.50) MAPTCASP1CASP7CYP3A4TP53
SCHEMBL16272076 0.69 DNM1 (0.36) MAPTCASP1CASP7CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4260749-A HAIR DYES L'OREAL (FR) 1981-04-07 — — US disclosed
US-4204059-A HAIR DYES L'OREAL (FR) 1980-05-20 — — US disclosed
US-4084052-A HAIR DYES L'OREAL (FR) 1978-04-11 — — US disclosed
US-4023926-A Diaminobenzoquinones in hair dye compositions SOCIETE ANONYME DITE: L'OREAL (FR) 1977-05-17 — — US disclosed
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