SCHEMBL20197194

SCHEMBL20197194

CC(C)Cc1cc(-c2nc(-c3ccc(NSC(F)(F)F)c(Br)c3Cl)cs2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 16/20 0.39
MAPT P10636 3/20 0.38
ATM Q13315 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RECQL P46063 1/20 0.38
SREBF1 P36956 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34

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
SCHEMBL16535252 0.85 SREBF2 (0.40) SREBF2MAPTATMKDM4ELMNA
SCHEMBL22152727 0.83 SREBF2 (0.43) SREBF2MAPTATMKDM4ELMNA
SCHEMBL20197323 0.81 SREBF2 (0.46) SREBF2MAPTATMKDM4ELMNA
SCHEMBL20197208 0.79 SREBF2 (0.43) SREBF2MAPTATMKDM4ELMNA
SCHEMBL20197347 0.79 SREBF2 (0.55) SREBF2MAPTATMKDM4ELMNA
SCHEMBL20197405 0.78 SREBF2 (0.42) SREBF2MAPTATMKDM4ELMNA
SCHEMBL20197360 0.78 SREBF2 (0.48) SREBF2MAPTATMSREBF1ALDH1A1
SCHEMBL20197263 0.77 SREBF2 (0.47) SREBF2MAPTATMKDM4EL3MBTL1
SCHEMBL16535483 0.73 SREBF2 (0.40) SREBF2MAPTATMKDM4ELMNA
SCHEMBL20197225 0.73 SREBF2 (0.37) SREBF2MAPTATMKDM4ELMNA

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