SCHEMBL10784124

SCHEMBL10784124

CC1=CC(=O)C(N(C)C(N)=O)=CC1=Nc1ccc(N)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PABPC1 P11940 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PLK1 P53350 1/20 0.30
▸ PLK2 Q9NYY3 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
SCHEMBL10786379 0.78 CYP3A4 (0.39) PABPC1TP53CYP3A4TSHRMAPK1
SCHEMBL11721046 0.76 PABPC1 (0.39) PABPC1TDP1
SCHEMBL11316324 0.75 TP53 (0.33) TP53CYP3A4TSHRMAPK1SMN1; SMN2
SCHEMBL11404420 0.68 PDE10A (0.39) PABPC1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL11322932 0.66 CYP3A4 (0.38) TP53CYP3A4TSHRMAPK1SMN1; SMN2
SCHEMBL11743793 0.66 — —
SCHEMBL10787311 0.65 CYP3A4 (0.35) PABPC1CYP3A4TSHRMAPK1
SCHEMBL13525197 0.65 CYP3A4 (0.41) TP53CYP3A4TSHRMAPK1SMN1; SMN2
SCHEMBL11789695 0.65 TDP1 (0.41) PABPC1TP53CYP3A4TSHRMAPK1
SCHEMBL1153823 0.64 CYP3A4 (0.36) TP53CYP3A4TSHRMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4675130-A HAIR DYES L'OREAL (FR) 1987-06-23 — — US disclosed
US-4246181-A HAIR DYE L'OREAL (FR) 1981-01-20 — — US disclosed
US-3953508-A Diphenylamines for dyeing keratinous fibers L'OREAL (FR) 1976-04-27 — — US disclosed
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