SCHEMBL9561883

SCHEMBL9561883

Cc1[nH]c2ccccc2c1C1=CC(=O)c2c(-c3c(C)[nH]c4ccccc34)ccc(O)c2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 2/20 0.52
CCR6 P51684 1/20 0.52
PTPRC P08575 2/20 0.43
NSD2 O96028 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
MEN1 O00255 5/20 0.40
MAPT P10636 5/20 0.40
KMT2A Q03164 5/20 0.40
MAOA P21397 1/20 0.40
BACE1 P56817 3/20 0.39
MAPK1 P28482 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
RECQL P46063 2/20 0.39
BLM P54132 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL9562302 0.91 PTPRC (0.55) HKDC1CCR6PTPRCBACE1
SCHEMBL9562267 0.91 PTPRC (0.55) HKDC1CCR6PTPRCNSD2OPRM1
SCHEMBL9562546 0.85 BACE1 (0.57) HKDC1CCR6PTPRCNSD2OPRM1
SCHEMBL9572012 0.85 BACE1 (0.57) HKDC1CCR6PTPRCNSD2OPRM1
SCHEMBL9562325 0.82 PTPRC (0.60) HKDC1PTPRCNSD2OPRM1OPRD1
SCHEMBL9562286 0.79 CCR6 (0.62) HKDC1CCR6PTPRCMEN1MAPT
SCHEMBL8992318 0.76 PTPRC (0.70) HKDC1CCR6PTPRCNSD2OPRM1
SCHEMBL7716546 0.72 CCR6 (0.53) HKDC1CCR6PTPRCNSD2MEN1
SCHEMBL9561882 0.71 PTPRC (0.65) HKDC1PTPRCNSD2OPRM1OPRD1
SCHEMBL9572019 0.70 PTPN1 (0.59) HKDC1PTPRCNSD2OPRM1OPRD1

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-0560684-A1 1,4-naphthoquinone or 1,4-naphthalenediol compounds di- or tri-indolyl substituted, processes for their preparation and their use for dyeing keratinous material L'OREAL (FR) 1993-09-15 EP claimed
EP-0560684-A1 1,4-naphthoquinone or 1,4-naphthalenediol compounds di- or tri-indolyl substituted, processes for their preparation and their use for dyeing keratinous material L'OREAL (FR) 1993-09-15 EP disclosed