SCHEMBL27673129

SCHEMBL27673129

Cn1c2ccc(N)cc2c2cc(-c3ccc(O)cc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.45
FGFR1 P11362 2/20 0.44
FGFR2 P21802 2/20 0.44
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
ESR2 Q92731 4/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 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
CA14 Q9ULX7 1/20 0.39
ESR1 P03372 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL3874806 0.86 BCHE (0.56) BCHEACHEALDH1A1HSD17B10CA3
SCHEMBL27673166 0.83 LIMK1 (0.55) LIMK1FGFR1FGFR2BCHEACHE
SCHEMBL29433546 0.82 KDM4E (0.50) BCHEACHEALDH1A1HSD17B10MEN1
SCHEMBL351390 0.82 KDM4E (0.50) BCHEACHEALDH1A1HSD17B10MEN1
SCHEMBL27673133 0.78 MEN1 (0.41) LIMK1ESR2ALDH1A1HSD17B10MEN1
SCHEMBL22384864 0.78 GPR3 (0.55) ALDH1A1HSD17B10CYP3A4ALOX15MEN1
SCHEMBL31097207 0.77 CD38 (0.37) BCHEACHEALDH1A1HSD17B10MEN1
SCHEMBL11808516 0.73 BCHE (0.67) BCHEACHEESR2ALDH1A1HSD17B10
SCHEMBL20384886 0.73 ACHE (0.47) BCHEACHEALDH1A1HSD17B10CYP3A4
SCHEMBL29565790 0.73 MEN1 (0.66) ALDH1A1HSD17B10MEN1KMT2AKDM4E

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