SCHEMBL10786379

SCHEMBL10786379

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PABPC1 P11940 1/20 0.34
▸ ATAD2 Q6PL18 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
SCHEMBL11404420 0.85 PDE10A (0.39) CYP3A4TDP1TP53MAPK1SMN1; SMN2
SCHEMBL10787311 0.85 CYP3A4 (0.35) CYP3A4TSHRMAPK1ALDH1A1PABPC1
SCHEMBL10782928 0.81 PABPC1 (0.41) TDP1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL11316324 0.79 TP53 (0.33) CYP3A4TDP1TSHRTP53MAPK1
SCHEMBL11410974 0.78 PABPC1 (0.39) TDP1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL10796505 0.78 CYP3A4 (0.32) CYP3A4TDP1TSHRTP53MAPK1
SCHEMBL10784124 0.78 PABPC1 (0.33) CYP3A4TDP1TSHRTP53MAPK1
SCHEMBL11316017 0.76 PABPC1 (0.61) CYP3A4TDP1TSHRTP53MAPK1
SCHEMBL11309470 0.75 PABPC1 (0.38) KMT2APABPC1
SCHEMBL11322932 0.75 CYP3A4 (0.38) CYP3A4TDP1TSHRTP53MAPK1

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
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
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