SCHEMBL9572015

SCHEMBL9572015

CCCCCCCCCCCC1=C(c2c(C)n(C)c3ccccc23)C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
MITF O75030 2/20 0.43
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PTPN1 P18031 1/20 0.40
NTRK1 P04629 1/20 0.40
TSHR P16473 1/20 0.40
OXER1 Q8TDS5 3/20 0.40
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL9562391 0.81 NTRK1 (0.54) RAB9ANPC1GAAALDH1A1MAPT
SCHEMBL9572029 0.80 NPC1 (0.40) RAB9ANPC1MITFGAAL3MBTL1
SCHEMBL9572003 0.74 HSD17B10 (0.47) RAB9ANPC1GAAALDH1A1MAPT
SCHEMBL27734112 0.73 PTPN1 (0.55) RAB9ANPC1MITFGAAL3MBTL1
SCHEMBL9572006 0.72 PTPRC (0.50) GAAALDH1A1MEN1KMT2APTPN1
SCHEMBL571017 0.71 ALDH1A1 (0.58) RAB9ANPC1MITFGAAL3MBTL1
SCHEMBL572045 0.71 ALDH1A1 (0.58) RAB9ANPC1MITFGAAL3MBTL1
SCHEMBL571607 0.71 ALDH1A1 (0.58) RAB9ANPC1MITFGAAL3MBTL1
SCHEMBL572109 0.71 ALDH1A1 (0.58) RAB9ANPC1MITFGAAL3MBTL1
SCHEMBL15695046 0.71 ALDH1A1 (0.58) RAB9ANPC1MITFGAAL3MBTL1

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
EP-0560683-A1 Hair coloring compositions with monoindolyl-1,4-naphthoquinones or their leuko derivatives, new monoindolyl-1,4-naphthoquinones and their leukoderivatives L'OREAL (FR) 1993-09-15 EP claimed
EP-0560683-A1 Hair coloring compositions with monoindolyl-1,4-naphthoquinones or their leuko derivatives, new monoindolyl-1,4-naphthoquinones and their leukoderivatives L'OREAL (FR) 1993-09-15 EP disclosed