SCHEMBL8992318

SCHEMBL8992318

Cc1[nH]c2ccccc2c1C1=CC(=O)C(=O)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 7/20 0.70
HKDC1 Q2TB90 2/20 0.62
CCR6 P51684 1/20 0.62
PTPN1 P18031 6/20 0.56
PTPRF P10586 2/20 0.56
CDC25B P30305 2/20 0.56
NSD2 O96028 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
IMPDH2 P12268 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
AHR P35869 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL9562286 0.88 CCR6 (0.62) PTPRCHKDC1CCR6PTPN1PTPRF
SCHEMBL6232476 0.82 PTPRC (1.00) PTPRCHKDC1CCR6PTPN1PTPRF
SCHEMBL8992377 0.82 PTPRC (0.62) PTPRCHKDC1CCR6PTPN1PTPRF
SCHEMBL9561901 0.81 CCR6 (0.56) PTPRCHKDC1CCR6IMPDH2CYP1A2
SCHEMBL9572012 0.78 BACE1 (0.57) PTPRCHKDC1CCR6CDC25BNSD2
SCHEMBL9562546 0.78 BACE1 (0.57) PTPRCHKDC1CCR6CDC25BNSD2
SCHEMBL7716546 0.77 CCR6 (0.53) PTPRCHKDC1CCR6CDC25BNSD2
SCHEMBL29094069 0.77 CCR6 (1.00) PTPRCHKDC1CCR6IMPDH2CYP1A2
SCHEMBL9561883 0.76 HKDC1 (0.52) PTPRCHKDC1CCR6PTPN1PTPRF
SCHEMBL9561922 0.76 CCR6 (0.51) PTPRCHKDC1CCR6IMPDH2CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560682-B1 Keratinous fibres dye compositions with 4-monoindolyl 1,2-naphthochinones, 4-monoindolyl 1,2-naphthoquinones OREAL (FR) 1996-08-07 EP claimed
EP-0560682-A1 Keratinous fibres dye compositions with 4-monoindolyl 1,2-naphthochinones, 4-monoindolyl 1,2-naphthoquinones L'OREAL (FR) 1993-09-15 EP claimed
EP-0560682-B1 Keratinous fibres dye compositions with 4-monoindolyl 1,2-naphthochinones, 4-monoindolyl 1,2-naphthoquinones OREAL (FR) 1996-08-07 EP disclosed
EP-0560682-A1 Keratinous fibres dye compositions with 4-monoindolyl 1,2-naphthochinones, 4-monoindolyl 1,2-naphthoquinones L'OREAL (FR) 1993-09-15 EP disclosed