SCHEMBL4650811

SCHEMBL4650811

CCCCCCCCCCCc1c(C(=O)Nc2ccccc2C(=O)O)sc2ccc(C)cc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 15/20 0.53
PLK3 Q9H4B4 5/20 0.53
F10 P00742 1/20 0.46
TRPA1 O75762 1/20 0.45
TRPM2 O94759 1/20 0.45
PLA2G1B P04054 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
SLC16A3 O15427 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
CDC25B P30305 1/20 0.45
PTPN11 Q06124 1/20 0.45

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
SCHEMBL4650813 0.84 PLK1 (0.53) PLK1PLK3SLC16A3PTPN2PTPN1
SCHEMBL4652863 0.81 GPR35 (0.59) PLK1PLK3
SCHEMBL4651954 0.76 PLK1 (0.60) PLK1PLK3PTPN2PTPN1PTPN6
SCHEMBL4650948 0.76 PLK1 (0.60) PLK1PLK3PTPN2PTPN1PTPN6
SCHEMBL4651949 0.76 PLK1 (0.60) PLK1PLK3PTPN2PTPN1PTPN6
SCHEMBL4651563 0.76 ALDH1A1 (0.46) TRPM8
SCHEMBL4651952 0.71 PLK1 (0.61) PLK1PLK3PTPN2PTPN1PTPN6
SCHEMBL4650949 0.71 PLK1 (0.61) PLK1PLK3PTPN2PTPN1PTPN6
SCHEMBL4651959 0.71 PLK1 (0.61) PLK1PLK3PTPN2PTPN1PTPN6
SCHEMBL1254637 0.70 GPR35 (0.62)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1972624-A1 Benzoxazinones and their use as ultraviolet light absorbers Clariant International Ltd. (CH) 2008-09-24 EP disclosed