SCHEMBL8992914

SCHEMBL8992914

O=C1C=C(n2ccc3ccccc32)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.57
DNMT1 P26358 1/20 0.51
NSD2 O96028 3/20 0.47
HKDC1 Q2TB90 3/20 0.47
APAF1 O14727 2/20 0.47
TDP2 O95551 2/20 0.47
PRKD3 O94806 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCI P41743 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCZ Q05513 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKD1 Q15139 1/20 0.46

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
SCHEMBL8992603 0.72 PTPRC (0.50) PTPN1DNMT1NSD2HKDC1APAF1
SCHEMBL23743472 0.68 MAPT (0.51) PTPN1PRKD3PRKCGPRKCBPRKCA
SCHEMBL7260223 0.65 APAF1 (1.00) PTPN1DNMT1NSD2HKDC1APAF1
SCHEMBL10153905 0.63 BIRC5 (0.64) PRKD3PRKCGPRKCBPRKCAPRKACA
SCHEMBL170890 0.63 BIRC5 (0.70) PRKD3PRKCGPRKCBPRKCAPRKACA
SCHEMBL13052919 0.63 BIRC5 (0.59) PRKD3PRKCGPRKCBPRKCAPRKACA
SCHEMBL29475118 0.63 BIRC5 (0.70) PRKD3PRKCGPRKCBPRKCAPRKACA
SCHEMBL10037145 0.62 DNMT1 (0.77) PTPN1DNMT1NSD2HKDC1APAF1
SCHEMBL4649553 0.62 DNMT1 (0.83) PTPN1DNMT1NSD2HKDC1APAF1
SCHEMBL20110565 0.62 BIRC5 (0.44) PRKD3PRKCGPRKCBPRKCAPRKACA

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-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