SCHEMBL18019404

SCHEMBL18019404

CCCCC(=O)c1cc([N+](=O)[O-])c(C)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
HSD17B3 P37058 1/20 0.38
POLB P06746 1/20 0.38
ESR1 P03372 1/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP10 Q14694 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HCAR3 P49019 2/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL16863713 0.84 GSK3B (0.40) LMNAMAPTALDH1A1L3MBTL1GAA
SCHEMBL10252646 0.76 USP47 (0.54) MAPTALDH1A1GAAKMT2AUSP10
SCHEMBL1242736 0.76 DAO (0.55) LMNAMAPTALDH1A1TDP1L3MBTL1
SCHEMBL17977297 0.76 USP10 (0.58) LMNAMAPTALDH1A1TDP1L3MBTL1
SCHEMBL15577326 0.74 ALDH1A1 (0.40) LMNAMAPTALDH1A1GAAKMT2A
SCHEMBL13945555 0.74 PSMB8 (0.38) LMNAMAPTALDH1A1TDP1L3MBTL1
SCHEMBL11444533 0.73 TSHR (0.60) LMNAMAPTALDH1A1L3MBTL1GAA
SCHEMBL20716078 0.73 LMNA (0.49) LMNAMAPTALDH1A1L3MBTL1POLB
SCHEMBL16863716 0.72 ALDH1A1 (0.40) LMNAMAPTALDH1A1GAAKMT2A
SCHEMBL426359 0.72 USP10 (0.51) LMNAMAPTALDH1A1TDP1L3MBTL1

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
WO-2016128905-A1 THIENOPYRROLE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2016-08-18 WO disclosed