SCHEMBL20197223

SCHEMBL20197223

CC(C)Cc1cc(-c2nc(-c3ccc(N[S+]([O-])C(F)(F)F)cc3Cl)cs2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 18/20 0.42
MAPT P10636 2/20 0.39
ATM Q13315 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SREBF1 P36956 2/20 0.37
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL20197235 0.87 SREBF2 (0.42) SREBF2MAPTATMKDM4ELMNA
SCHEMBL20197222 0.85 KDM4E (0.37) KDM4E
SCHEMBL20197238 0.85 CYP19A1 (0.44) SREBF2KDM4E
SCHEMBL22152727 0.84 SREBF2 (0.43) SREBF2MAPTATMKDM4ELMNA
SCHEMBL16535031 0.82 SREBF2 (0.45) SREBF2MAPTATMKDM4ELMNA
Bromide SCHEMBL16535897 0.82 SREBF2 (0.44) SREBF2MAPTATMKDM4ELMNA
Hydrochloric Acid SCHEMBL16535162 0.82 SREBF2 (0.44) SREBF2MAPTATMKDM4ELMNA
SCHEMBL20197301 0.81 KDM4E (0.34) SREBF2MAPTATMKDM4ELMNA
SCHEMBL16535239 0.81 SREBF2 (0.44) SREBF2MAPTATMKDM4ELMNA
SCHEMBL20197225 0.80 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