SCHEMBL20197331

SCHEMBL20197331

CC(C)Cc1cc(-c2nc(-c3ccc(N[S+]([O-])C(F)(F)F)c(Br)c3)cs2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 17/20 0.44
MAPT P10636 3/20 0.43
ATM Q13315 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
RECQL P46063 1/20 0.43
SREBF1 P36956 2/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL20197477 0.89 SREBF2 (0.43) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL20197333 0.88 SREBF2 (0.42) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL20197225 0.82 SREBF2 (0.37) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL16534939 0.82 SREBF2 (0.46) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL20197324 0.78 SREBF2 (0.58) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL20197223 0.78 SREBF2 (0.42) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL20197323 0.75 SREBF2 (0.46) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL16535993 0.74 SREBF2 (0.46) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL16535247 0.74 SREBF2 (0.44) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL16536141 0.73 SREBF2 (0.46) SREBF2MAPTATML3MBTL1KDM4E

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