SCHEMBL6219086

SCHEMBL6219086

CC(=O)Oc1cccc2sc(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
NR1H4 Q96RI1 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
SCHEMBL1223274 0.85 APP (0.44) KDM4EMAPTNPC1ALDH1A1GAA
SCHEMBL9620838 0.84 RARA (0.47) KDM4EMEN1MAPTKMT2ANPC1
SCHEMBL8010166 0.84 ALDH1A1 (0.51) TRPV1KDM4EMEN1MAPTKMT2A
SCHEMBL9621138 0.83 SMN1; SMN2 (0.52) BACE1KDM4EMAPTKMT2ANPC1
SCHEMBL9620801 0.81 LMNA (0.51) KDM4EMEN1MAPTKMT2ANPC1
SCHEMBL3922398 0.77 APP (0.48) KDM4EMEN1HSP90AA1MAPTCRHBP
SCHEMBL3916255 0.76 MAPT (0.60) KDM4EMEN1HSP90AA1MAPTCRHBP
SCHEMBL3916237 0.75 PPARD (0.47) KDM4EMEN1HSP90AA1MAPTCRHBP
SCHEMBL6219017 0.74 HDAC6 (0.48) BACE1KDM4EMEN1HSP90AA1MAPT
SCHEMBL3920688 0.74 KDM4E (0.43) KDM4EMEN1HSP90AA1MAPTCRHBP

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-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed