SCHEMBL9741306

SCHEMBL9741306

O=[N+]([O-])CSc1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
USP7 Q93009 2/20 0.41
USP10 Q14694 1/20 0.41
USP47 Q96K76 1/20 0.41
PDE7A Q13946 1/20 0.39
HSPB1 P04792 4/20 0.37
CA2 P00918 3/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35
CASP6 P55212 1/20 0.35
MCL1 Q07820 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
PTGS2 P35354 2/20 0.33

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
SCHEMBL9739474 0.83 L3MBTL1 (0.37) ATMTDP1PDE7ACA2ALDH1A1
SCHEMBL9740256 0.78 SMN1; SMN2 (0.40) TDP1PDE7AALDH1A1MEN1KMT2A
SCHEMBL9711187 0.71 FBP1 (0.41) ATMTDP1HSPB1ALDH1A1MEN1
SCHEMBL779536 0.71 DDR1 (0.38) CA2ALDH1A1CES2CES1PTGS2
SCHEMBL29722933 0.71 DDR1 (0.38) CA2ALDH1A1CES2CES1PTGS2
SCHEMBL29391079 0.70 CES2 (0.35) ATMTDP1USP7USP10USP47
SCHEMBL21450904 0.69 RIPK2 (0.52) ALDH1A1MEN1KMT2AMCL1CES2
SCHEMBL9711276 0.68 KDM4E (0.39) ATMTDP1CA2ALDH1A1KMT2A
SCHEMBL29722960 0.68 ALDH1A1 (0.35) ATMTDP1CA2ALDH1A1CES2
SCHEMBL775820 0.68 ALDH1A1 (0.35) ATMTDP1CA2ALDH1A1CES2

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
US-5153227-A Treatment of diabetes and galactosemia complications IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-06 US disclosed