SCHEMBL11706405

SCHEMBL11706405

Nc1cc(S(=O)(=O)O)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1S(=O)(=O)O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 2/20 0.54
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 5/20 0.52
NPY1R P25929 1/20 0.48
MC4R P32245 1/20 0.48
NPY2R P49146 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALPL P05186 1/20 0.48
PKM P14618 1/20 0.48
VCAM1 P19320 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL11409686 0.82 MAPT (0.56) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL11411204 0.80 RAB9A (0.56) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL11597131 0.77 HCAR3 (0.56) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL4898797 0.77 ALDH1A1 (0.47) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL10388703 0.76 KMT2A (0.70) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL11596615 0.74 HCAR3 (0.56) MAPTALDH1A1HTTLMNAL3MBTL1
SCHEMBL8667488 0.74 HDAC2 (0.55) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL4903408 0.73 HSD17B10 (0.55) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL6935235 0.73 ALDH1A1 (0.56) ALDH1A1L3MBTL1VCAM1MAPK1
SCHEMBL11247908 0.73 ALDH1A1 (0.60) ALDH1A1L3MBTL1VCAM1MAPK1

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-4033943-A Fiber reactive water soluble 2,4,6-triamino, 3-cyano pyridine-(5) azo dyestuffs CIBA-GEIGY CORPORATION (US) 1977-07-05 US disclosed