SCHEMBL6898893

SCHEMBL6898893

O=C(O)c1ccc([S+]([O-])c2ccc(Cl)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.49
TSHR P16473 3/20 0.49
LMNA P02545 1/20 0.49
HCAR3 P49019 7/20 0.46
VCAM1 P19320 1/20 0.43
APEX1 P27695 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL6894036 0.85 CASP6 (0.51) CASP6MEN1KMT2AMAPTPOLB
SCHEMBL5098503 0.77 CASP6 (0.62) CASP6MEN1KMT2APOLBTSHR
SCHEMBL2027399 0.77 SMN1; SMN2 (0.39) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL27613081 0.74 ALDH1A1 (0.39) KMT2ALMNAALDH1A1
SCHEMBL12181972 0.74 CASP6 (0.58) CASP6MEN1KMT2AMAPTPOLB
4-Chloro-3-Nitrobenzoic Acid SCHEMBL30234086 0.73 VCAM1 (0.77) CASP6MEN1KMT2AMAPTTSHR
4-Chloro-3-Nitrobenzoic Acid SCHEMBL6101 0.73 VCAM1 (0.77) CASP6MEN1KMT2AMAPTTSHR
4-Chloro-3-Nitrobenzoic Acid SCHEMBL28165768 0.71 VCAM1 (0.74) CASP6MEN1KMT2AMAPTTSHR
4-Chloro-3-Nitrobenzoic Acid SCHEMBL8028245 0.71 VCAM1 (0.74) CASP6MEN1KMT2AMAPTTSHR
4-Chloro-3-Nitrobenzoic Acid SCHEMBL10608939 0.71 VCAM1 (0.74) CASP6MEN1KMT2AMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100485-A4 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-06-09 EP disclosed
EP-1100485-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP disclosed
WO-2000006146-A9 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2000-08-03 WO disclosed
WO-2000006146-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed