SCHEMBL9572001

SCHEMBL9572001

Cc1[nH]c2ccccc2c1C1=C(c2ccccc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.50
CCR6 P51684 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
IMPDH2 P12268 1/20 0.48
PTGS2 P35354 1/20 0.46
HPGD P15428 4/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.44
MITF O75030 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
DDX3X O00571 1/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL9562597 0.93 PTPRC (0.59) PTPRCCCR6HKDC1IMPDH2PTGS2
SCHEMBL9561901 0.92 CCR6 (0.56) PTPRCCCR6HKDC1IMPDH2HPGD
SCHEMBL9572013 0.86 PTPRC (0.65) PTPRCPTGS2HPGDMAPTALDH1A1
SCHEMBL9561922 0.84 CCR6 (0.51) PTPRCCCR6HKDC1IMPDH2PTGS2
SCHEMBL9562400 0.83 PTPRC (0.68) PTPRCPTGS2HPGDMAPTALDH1A1
SCHEMBL9572023 0.82 MEN1 (0.51) PTPRCCCR6HKDC1IMPDH2HPGD
SCHEMBL15797114 0.81 PRKCB (0.54) CCR6HKDC1IMPDH2PTGS2HPGD
SCHEMBL15797025 0.81 IMPDH2 (0.49) CCR6HKDC1IMPDH2PTGS2HPGD
SCHEMBL9572005 0.80 CCR6 (0.45) CCR6HKDC1IMPDH2HPGDMAPT
SCHEMBL17210892 0.79 DDX3X (0.48) CCR6HKDC1IMPDH2PTGS2HPGD

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