SCHEMBL27673166

SCHEMBL27673166

Cn1c2cc(N)ccc2c2ccc(-c3ccc(O)cc3)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.55
FGFR1 P11362 2/20 0.48
FGFR2 P21802 2/20 0.48
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
ESR2 Q92731 5/20 0.40
ESR1 P03372 6/20 0.39
FGFR3 P22607 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA3 P07451 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
CA6 P23280 1/20 0.39
CASP1 P29466 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TTR P02766 2/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL3881179 0.86 BCHE (0.44) LIMK1ESR1ALDH1A1CA3CYP3A4
SCHEMBL27673129 0.83 LIMK1 (0.45) LIMK1FGFR1FGFR2ESR2ESR1
SCHEMBL3872734 0.82 GPR3 (0.44) ALDH1A1CASP1HSD17B10TTRMEN1
SCHEMBL27653141 0.81 KDM4E (0.48) LIMK1FGFR1FGFR2ESR2ESR1
SCHEMBL27673123 0.81 RXRA (0.62) LIMK1RXRARXRBESR2ESR1
Hydrochloric Acid SCHEMBL19896390 0.80 MEN1 (0.42) ALDH1A1CASP1HSD17B10TTRMEN1
SCHEMBL27673168 0.78 METAP2 (0.43) LIMK1RXRARXRBESR2ALDH1A1
SCHEMBL27673169 0.76 FGFR1 (0.58) FGFR1FGFR2ESR2ESR1FGFR3
SCHEMBL3886263 0.73 BCHE (0.52) ESR1ALDH1A1THRBALOX15HSD17B10
SCHEMBL13633649 0.73 L3MBTL1 (0.61) LIMK1RXRARXRBALDH1A1HSD17B10

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
CN-1937994-A Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2007-03-28 CN disclosed