SCHEMBL5503774

SCHEMBL5503774

CCOC(=O)c1cccc2[nH]nc([O])c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
TSHR P16473 1/20 0.51
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
CYP1A2 P05177 1/20 0.44
CLEC4M Q9H2X3 1/20 0.43
CDC25B P30305 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
AURKA O14965 1/20 0.42
MAPK10 P53779 1/20 0.42
RIPK1 Q13546 1/20 0.42
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7349359 0.84 KDM4E (0.51) KDM4ETSHRALDH1A1HSD17B10CYP1A2
SCHEMBL5971733 0.81 HPGDS (0.55) KDM4ETSHRALDH1A1HSD17B10KMT2A
SCHEMBL6009595 0.79 TSHR (0.61) KDM4ETSHRALDH1A1HSD17B10CYP1A2
SCHEMBL7348395 0.78 KDM4E (0.48) KDM4ETSHRALDH1A1HSD17B10CYP1A2
SCHEMBL7348330 0.77 KDM4E (0.47) KDM4ETSHRALDH1A1HSD17B10CDC25B
SCHEMBL6008342 0.74 TSHR (0.54) KDM4ETSHRALDH1A1HSD17B10CYP1A2
SCHEMBL15836985 0.74 TSHR (0.54) KDM4ETSHRALDH1A1HSD17B10CYP1A2
SCHEMBL19780350 0.73 KDM4E (0.62) KDM4EALDH1A1HSD17B10CYP1A2CDC25B
SCHEMBL3681837 0.73 TSHR (0.68) KDM4ETSHRALDH1A1HSD17B10CYP1A2
SCHEMBL19100359 0.72 METTL3 (0.58) KDM4ETSHRALDH1A1HSD17B10CYP1A2

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-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 EP disclosed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO disclosed