SCHEMBL10787991

SCHEMBL10787991

N=C1C=C(Nc2ccc(N)c(Cl)c2)C(=O)C=C1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.36
▸ CYP3A4 P08684 4/20 0.33
▸ TSHR P16473 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ THRB P10828 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32

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
SCHEMBL11784246 0.83 DNM1 (0.42) DNM1CYP3A4TSHRALDH1A1MAPK1
SCHEMBL15039491 0.72 DNM1 (0.32) DNM1CA12CA1CA2CA4
SCHEMBL15020203 0.72 DNM1 (0.32) DNM1CA12CA1CA2CA4
SCHEMBL15020202 0.72 DNM1 (0.32) DNM1CA12CA1CA2CA4
SCHEMBL11593134 0.72 CYP3A4 (0.54) CYP3A4TSHRALDH1A1MAPK1THRB
SCHEMBL11785958 0.69 RAPGEF4 (0.34) CYP3A4TSHRALDH1A1MAPK1THRB
SCHEMBL11388748 0.67 DNM1 (0.47) DNM1CYP3A4TSHRALDH1A1MAPK1
SCHEMBL18334947 0.63 CYP3A4 (0.49) CYP3A4TSHRALDH1A1MAPK1THRB
SCHEMBL11805905 0.62 CYP3A4 (0.35) CYP3A4TSHRALDH1A1MAPK1THRB
SCHEMBL3786386 0.61 TSHR (0.50) CYP3A4TSHRALDH1A1MAPK1THRB

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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