SCHEMBL11488772

SCHEMBL11488772

O=[N+]([O-])c1ccc(CS(=O)(=O)c2cnc3cc(Cl)ccc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CCR2 P41597 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
TXNRD1 Q16881 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
FSCN1 Q16658 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NLRP3 Q96P20 1/20 0.38

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
SCHEMBL11490245 0.88 HTT (0.58) HTTALDH1A1MAPTLMNAHPGD
SCHEMBL11494906 0.83 MAPT (0.53) HTTALDH1A1MAPTLMNAHPGD
SCHEMBL11276321 0.83 MAPT (0.72) HTTALDH1A1MAPTLMNAHPGD
SCHEMBL11489859 0.81 LMNA (0.50) HTTALDH1A1MAPTLMNAHPGD
SCHEMBL11482008 0.80 HTT (0.50) HTTALDH1A1MAPTLMNAHPGD
SCHEMBL11494220 0.78 MAPT (0.72) HTTALDH1A1MAPTLMNAHPGD
SCHEMBL11302866 0.76 HRH4 (0.47) HTTALDH1A1MAPTLMNAHPGD
SCHEMBL31225036 0.72 CYP1A2 (0.58) HTTALDH1A1MAPTLMNAMEN1
SCHEMBL11499576 0.72 HTT (0.43) HTTALDH1A1MAPTLMNAHPGD
SCHEMBL11277793 0.72 HRH4 (0.44) HTTALDH1A1MAPTLMNAHPGD

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
EP-0018493-A1 2-Sulfonyl-quinoxalines, processes for their preparation and their use as microbicides BAYER AG (DE) 1980-11-12 EP disclosed