SCHEMBL8355808

SCHEMBL8355808

CCOc1cc(S)c2nc(-c3ccc(C(F)(F)F)cc3)sc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
PPARD Q03181 9/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PPARA Q07869 7/20 0.39
PPARG P37231 5/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 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
SCHEMBL8361509 0.85 NPC1 (0.41) MAPTKMT2AKDM4ENPC1ALDH1A1
SCHEMBL8361579 0.71 HTT (0.53) LMNA
SCHEMBL59019 0.70 MAPT (0.43) MAPTKMT2AKDM4EMEN1GAA
SCHEMBL13756272 0.68 NQO1 (0.56) MAPTGAAPPARDRXRARXRB
SCHEMBL3916255 0.67 MAPT (0.60) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL15462903 0.67 ATP4A (0.56) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL8358041 0.67 KMT2A (0.52) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL3922398 0.66 APP (0.48) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL8010166 0.66 ALDH1A1 (0.51) MAPTKMT2AKDM4EMEN1GAA
SCHEMBL5425939 0.66 APP (0.51) KDM4EGAANPC1ALPLALPI

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-5919807-A ANTICHOLESTEROL AGENTS DR. KARL THOMAE GMBH (DE) 1999-07-06 US disclosed