SCHEMBL375845

SCHEMBL375845

NC(=O)c1oc(-c2ccccc2C(F)(F)F)cc1-c1ncc([N+](=O)[O-])s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.39
SLC9A1 P19634 1/20 0.38
SCN9A Q15858 3/20 0.37
CDC7 O00311 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
STAT3 P40763 1/20 0.36
ATG4B Q9Y4P1 2/20 0.35
NPC1 O15118 4/20 0.35
MEN1 O00255 3/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 3/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 5/20 0.34
POLB P06746 4/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 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
SCHEMBL30505205 0.75 STAT3 (0.41) CDK2STAT3ATG4BNPC1MEN1
SCHEMBL29057000 0.75 STAT3 (0.41) CDK2STAT3ATG4BNPC1MEN1
SCHEMBL29056976 0.73 NPC1 (0.46) CDC7CDK2STAT3ATG4BNPC1
SCHEMBL27801967 0.72 NPC1 (0.48) CDC7CDK2STAT3ATG4BNPC1
SCHEMBL375846 0.71 LMNA (0.57) STAT3ATG4BNPC1MEN1RAB9A
SCHEMBL30505182 0.68 NPC1 (0.41) EIF4ESCN9ASTAT3ATG4BNPC1
SCHEMBL29057035 0.68 NPC1 (0.41) EIF4ESCN9ASTAT3ATG4BNPC1
SCHEMBL30505239 0.68 MAPT (0.43) CDK2STAT3ATG4BNPC1MEN1
SCHEMBL29056977 0.68 MAPT (0.43) CDK2STAT3ATG4BNPC1MEN1
SCHEMBL21065546 0.68 SCD (0.47) SCN9ACDC7CCNE1CDK2DBF4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408770-A2 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS University Of Virginia Patent Foundation (US) 2012-01-25 EP disclosed
WO-2010107736-A2 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-09-23 WO disclosed