SCHEMBL6168725

SCHEMBL6168725

COC(=O)c1cc(C)c(NC(C)=O)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 4/20 0.46
GAA P10253 4/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 3/20 0.46
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
HDAC1 Q13547 1/20 0.45
PPARA Q07869 1/20 0.43
USP2 O75604 1/20 0.43
PTPRB P23467 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL23808917 0.88 HSD17B10 (0.51) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL6493050 0.86 ALOX15 (0.47) KDM4EALDH1A1HPGDHSD17B10PTPRB
SCHEMBL22453745 0.83 KDM4E (0.49) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL158750 0.81 KDM4E (0.41) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL13906612 0.81 HSD17B10 (0.58) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL8061123 0.81 ALDH1A1 (0.53) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL25648755 0.79 HPGD (0.50) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL31161652 0.78 KDM4E (0.50) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL637391 0.78 KDM4E (0.53) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL31161744 0.78 KDM4E (0.53) KDM4EALDH1A1HPGDGAAHSD17B10

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-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed