SCHEMBL11266871

SCHEMBL11266871

CC(C)(C)c1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
FBP1 P09467 1/20 0.47
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
NR1I2 O75469 5/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD11B1 P28845 1/20 0.43
CCR9 P51686 2/20 0.42
GRM5 P41594 1/20 0.42
HSD17B2 P37059 2/20 0.41
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL11263264 0.88 HTT (0.75) HTTSMN1; SMN2POLBPKMMAPT
SCHEMBL11482857 0.87 HTT (0.59) HTTSMN1; SMN2POLBPKMMAPT
SCHEMBL11280423 0.83 HTT (0.68) HTTSMN1; SMN2POLBPKMMAPT
SCHEMBL11275070 0.82 HTT (0.71) HTTSMN1; SMN2FBP1POLBPKM
SCHEMBL11275574 0.82 HTT (0.70) HTTSMN1; SMN2POLBPKMMAPT
SCHEMBL11273503 0.78 HTT (0.46) HTTSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL11279295 0.77 HTT (0.71) HTTSMN1; SMN2FBP1POLBPKM
SCHEMBL11273237 0.76 HTT (0.49) HTTSMN1; SMN2POLBPKMMAPT
SCHEMBL11302866 0.74 HRH4 (0.47) HTTSMN1; SMN2POLBPKMMAPT
SCHEMBL10220436 0.73 HRH4 (0.48) SMN1; SMN2FBP1POLBMAPTKMT2A

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-0018493-B1 2-SULFONYL-QUINOXALINES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MICROBICIDES BAYER AG (DE) 1982-12-01 EP disclosed
EP-0018493-A1 2-Sulfonyl-quinoxalines, processes for their preparation and their use as microbicides BAYER AG (DE) 1980-11-12 EP disclosed