SCHEMBL277128

SCHEMBL277128

CCc1cc(-c2nc(C)c(CCO[N+](=O)[O-])s2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
SREBF2 Q12772 4/20 0.41
SREBF1 P36956 1/20 0.41
MAPT P10636 9/20 0.36
TP53 P04637 6/20 0.36
LMNA P02545 4/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
PDE10A Q9Y233 1/20 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
SCHEMBL260324 0.83 MAPT (0.37) MAPTTP53LMNATHRB
SCHEMBL259331 0.83 CDC7 (0.45) CDC7DBF4MAPTTP53LMNA
SCHEMBL260977 0.81 MAPT (0.44) MAPTTP53LMNATHRBRXFP1
SCHEMBL259721 0.80 MAPT (0.53) MAPTTP53LMNARXFP1
SCHEMBL27953559 0.79 CDC7 (0.48) CDC7DBF4SREBF2SREBF1MAPT
SCHEMBL261446 0.79 MAPT (0.46) MAPTTP53LMNATHRB
SCHEMBL260042 0.79 TP53 (0.49) MAPTTP53LMNATHRBALDH1A1
SCHEMBL264075 0.79 TP53 (0.35) MAPTTP53LMNATHRBRXFP1
SCHEMBL260587 0.79 MAPT (0.42) MAPTTP53LMNATHRB
SCHEMBL260722 0.79 MAPT (0.54) MAPTTP53LMNATHRB

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-8134010-B2 4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenylamine; N-{4-[4-Methyl-5-(2-nitrooxy-ethyl)-thiazol-2-yl]-phenyl}-acetamide; or4-Methyl-5-(2-nitrooxy-ethyl)-2-(4-nitro-phenyl)-thiazole; cardiovascular, gastrointestinal, inflammatory, respiratory disease RENOPHARM LTD. (IL) 2012-03-13 US disclosed