SCHEMBL17113643

SCHEMBL17113643

O=[N+]([O-])c1c(S(=O)(=O)c2ccccc2)nc2[nH]ccc2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
NPSR1 Q6W5P4 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 4/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
S1PR4 O95977 2/20 0.40
S1PR1 P21453 2/20 0.40
MAPK1 P28482 2/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
KIF18A Q8NI77 1/20 0.38
DCTPP1 Q9H773 1/20 0.37
NPY1R P25929 1/20 0.37
AGTR1 P30556 1/20 0.36
MET P08581 2/20 0.35
LMNA P02545 2/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL12612709 0.81 MAPT (0.39) MAPTNPSR1ALDH1A1KMT2ARAB9A
SCHEMBL12613125 0.77 MAPT (0.40) MAPTNPSR1ALDH1A1KMT2ARAB9A
SCHEMBL19260943 0.72 NPY1R (0.48) KMT2ARAB9AMEN1KIF18ANPY1R
SCHEMBL5270336 0.69 MET (0.46) MAPTALDH1A1KMT2AMEN1GFER
SCHEMBL17113647 0.69 MET (0.49) NPSR1KMT2AMETLMNANAMPT
SCHEMBL2043670 0.68 KMT2A (0.46) MAPTNPSR1ALDH1A1KMT2ARAB9A
SCHEMBL28003201 0.67 IKBKB (0.42) MAPTALDH1A1METJAK2IKBKB
SCHEMBL28040158 0.66 EGFR (0.53) METJAK2IKBKBCHUK
SCHEMBL18497228 0.65 TXNRD1 (0.67) MAPTNPSR1ALDH1A1KMT2ARAB9A
SCHEMBL12613146 0.65 IKBKB (0.36) MAPTALDH1A1KMT2AMETLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122731-A1 NEW COMPOUNDS Novartis Tiergesundheit AG (CH) 2017-02-01 EP disclosed
WO-2015144773-A1 NEW COMPOUNDS NOVARTIS TIERGESUNDHEIT AG (CH) 2015-10-01 WO disclosed