SCHEMBL20197237

SCHEMBL20197237

CCCCCc1cc(-c2nc(-c3ccc(N[S+]([O-])C(F)(F)F)cc3)cs2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 17/20 0.56
SREBF1 P36956 2/20 0.55
MAPT P10636 3/20 0.53
ATM Q13315 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
RECQL P46063 1/20 0.53

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
SCHEMBL17263349 0.83 SREBF2 (0.70) SREBF2SREBF1MAPTATML3MBTL1
SCHEMBL16548479 0.81 SREBF2 (0.68) SREBF2SREBF1MAPTATML3MBTL1
SCHEMBL20197353 0.80 SREBF2 (0.47) SREBF2SREBF1MAPTATML3MBTL1
SCHEMBL20197352 0.80 SREBF2 (0.59) SREBF2SREBF1MAPTATML3MBTL1
SCHEMBL20197324 0.78 SREBF2 (0.58) SREBF2SREBF1MAPTATML3MBTL1
SCHEMBL16535274 0.78 SREBF2 (0.69) SREBF2SREBF1MAPTATML3MBTL1
SCHEMBL22122181 0.75 SREBF2 (0.75) SREBF2SREBF1MAPTATML3MBTL1
SCHEMBL20197300 0.75 SREBF2 (0.67) SREBF2SREBF1MAPTATML3MBTL1
SCHEMBL20197235 0.75 SREBF2 (0.42) SREBF2SREBF1MAPTATML3MBTL1
SCHEMBL16535621 0.74 SREBF2 (0.78) SREBF2SREBF1MAPTATML3MBTL1

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