SCHEMBL4467429

SCHEMBL4467429

CCOC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1CC.c1cc2ccc1-2

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
KDM4E B2RXH2 1/20 0.74
HSP90AA1 P07900 1/20 0.74
CRHBP P24387 1/20 0.74
CRHR2 Q13324 1/20 0.74
TRPM8 Q7Z2W7 5/20 0.55
CDC7 O00311 8/20 0.54
DBF4 Q9UBU7 8/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
DHODH Q02127 1/20 0.53
PTPN11 Q06124 2/20 0.52

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
SCHEMBL4484447 0.99 MAPT (0.76) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL4804421 0.92 MAPT (0.76) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL4809764 0.91 MAPT (0.74) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL14394668 0.89 MAPT (0.73) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL4468293 0.89 MAPT (0.73) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL2885122 0.89 MAPT (0.73) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL5899880 0.87 MAPT (0.70) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL4809770 0.87 MAPT (0.70) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL4485086 0.87 MAPT (0.70) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL27717711 0.87 MAPT (0.70) MAPTMEN1KMT2AKDM4EHSP90AA1

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
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed