SCHEMBL6800716

SCHEMBL6800716

CCCCCCCCCCCc1csc(-c2ccc(C(=O)N(Cc3ccc(C(F)(F)F)cc3)OC(C)=O)c(CC)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 12/20 0.46
LMNA P02545 6/20 0.46
POLB P06746 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 1/20 0.40
PSEN1 P49768 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL1854166 0.76 TP53 (0.49) TP53LMNAPOLBMAPTKDM4E
SCHEMBL4670229 0.76 TP53 (0.49) TP53LMNAPOLBMAPTKDM4E
SCHEMBL4320498 0.75 TP53 (0.47) TP53LMNAPOLBMAPTKDM4E
SCHEMBL4322789 0.73 TP53 (0.51) TP53LMNAPOLBMAPTKDM4E
SCHEMBL4320499 0.71 TP53 (0.44) TP53LMNAPOLBMAPTKDM4E
SCHEMBL5045025 0.70 TP53 (0.47) TP53LMNAPOLBMAPTKDM4E
SCHEMBL6804927 0.69 TP53 (0.46) TP53LMNAPOLBMAPTKDM4E
SCHEMBL6719838 0.68 MLYCD (0.52) MAPTSMN1; SMN2PPARGPPARAHTT
SCHEMBL5045018 0.68 TP53 (0.45) TP53LMNAPOLBMAPTKDM4E
SCHEMBL5017463 0.66 LMNA (0.61) TP53LMNAPOLBMAPTKDM4E

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-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed