SCHEMBL9572005

SCHEMBL9572005

Cc1[nH]c2ccccc2c1C1=C(c2cccs2)C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
IMPDH2 P12268 1/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
ATM Q13315 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
PRKCA P17252 1/20 0.39
GSK3B P49841 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL9561901 0.86 CCR6 (0.56) CCR6HKDC1IMPDH2MEN1KMT2A
SCHEMBL8723074 0.80 IMPDH2 (0.54) CCR6HKDC1IMPDH2MEN1KMT2A
SCHEMBL9572001 0.80 PTPRC (0.50) CCR6HKDC1IMPDH2MEN1KMT2A
SCHEMBL9562597 0.79 PTPRC (0.59) CCR6HKDC1IMPDH2
SCHEMBL9561922 0.78 CCR6 (0.51) CCR6HKDC1IMPDH2MEN1KMT2A
SCHEMBL9572023 0.77 MEN1 (0.51) CCR6HKDC1IMPDH2MEN1KMT2A
SCHEMBL8987116 0.72 LMNA (0.48) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL6256115 0.70 CCR6 (0.51) CCR6HKDC1IMPDH2MEN1KMT2A
SCHEMBL9572003 0.70 HSD17B10 (0.47) CCR6HKDC1MAPTGSK3BCYP1A2
SCHEMBL9572000 0.70 APAF1 (0.45) CCR6HKDC1IMPDH2MEN1KMT2A

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