SCHEMBL20197235

SCHEMBL20197235

[O-][S+](Nc1ccc(-c2csc(-c3ccnc(CCC(F)(F)F)c3)n2)c(Cl)c1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 18/20 0.42
MAPT P10636 2/20 0.41
ATM Q13315 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SREBF1 P36956 1/20 0.40
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL20197223 0.87 SREBF2 (0.42) SREBF2MAPTATMKDM4ELMNA
SCHEMBL20197238 0.86 CYP19A1 (0.44) SREBF2KDM4E
SCHEMBL20197249 0.84 SREBF2 (0.43) SREBF2MAPTATMKDM4ELMNA
SCHEMBL16535861 0.82 SREBF2 (0.48) SREBF2MAPTATMKDM4ELMNA
SCHEMBL20197301 0.80 KDM4E (0.34) SREBF2MAPTATMKDM4ELMNA
SCHEMBL20197368 0.80 MAPK14 (0.35) SREBF2KDM4E
SCHEMBL20197304 0.79 CDK2 (0.39) MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL20197479 0.78 EIF4E (0.39) MAPTKDM4EALDH1A1
SCHEMBL20197337 0.77 CYP1A2 (0.40) MAPTKDM4EALDH1A1
SCHEMBL20197159 0.76 CYP19A1 (0.33) KDM4E

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
EP-3038622-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2018-05-30 EP disclosed