SCHEMBL8992187

SCHEMBL8992187

O=C1C=C(c2cc3ccccc3[nH]2)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.53
CHEK1 O14757 1/20 0.53
PTPN1 P18031 10/20 0.51
PTPRC P08575 6/20 0.50
PTPRF P10586 2/20 0.50
CDC25B P30305 2/20 0.50
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
AURKA O14965 1/20 0.45
NSD2 O96028 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL8666417 0.88 KDR (0.53) KDRCHEK1PTPN1PTPRCPTPRF
SCHEMBL30174331 0.88 KDR (0.53) KDRCHEK1PTPN1PTPRCPTPRF
SCHEMBL30968195 0.78 KDR (0.61) KDRCHEK1RAB9ANPC1KDM4E
SCHEMBL6626948 0.78 KDR (0.53) KDRCHEK1RAB9ANPC1KDM4E
SCHEMBL22541398 0.76 CYP19A1 (0.48) KDRCHEK1RAB9ANPC1KDM4E
SCHEMBL8717848 0.75 KDR (0.49) KDRCHEK1RAB9ANPC1KDM4E
SCHEMBL1158440 0.74 KDR (0.51) KDRCHEK1RAB9ANPC1KDM4E
SCHEMBL31055001 0.74 KDR (0.51) KDRCHEK1RAB9ANPC1KDM4E
SCHEMBL22541432 0.74 CYP19A1 (0.48) KDRCHEK1RAB9ANPC1KDM4E
SCHEMBL5051826 0.73 KDR (0.68) KDRCHEK1RAB9ANPC1KDM4E

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 disclosed
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
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