SCHEMBL11064928

SCHEMBL11064928

COc1cc(N2CCOCC2)c(Cl)cc1CC(=O)S

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
MAPT P10636 5/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL11065996 0.89 MAPK1 (0.46) MAPK1MAPTHPGDHTTLMNA
SCHEMBL10984615 0.88 S1PR1 (0.43) MAPTHPGDLMNAALDH1A1MEN1
SCHEMBL11064926 0.84 LMNA (0.44) MAPK1MAPTHPGDHTTLMNA
SCHEMBL12316373 0.77 HTT (0.49) MAPK1MAPTHPGDHTTLMNA
SCHEMBL11064644 0.77 MAPT (0.49) MAPK1MAPTHPGDHTTLMNA
SCHEMBL10994115 0.76 HSD17B10 (0.43) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL12316372 0.76 GAA (0.52) MAPK1MAPTHPGDHTTLMNA
SCHEMBL12316379 0.76 MAPT (0.47) MAPK1MAPTHPGDHTTLMNA
SCHEMBL19029920 0.74 CYP3A4 (0.49) MAPK1MAPTHPGDHTTLMNA
SCHEMBL19174694 0.73 MAPT (0.54) MAPK1MAPTLMNAALDH1A1SMN1; SMN2

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
US-4451462-A Method of treating inflammation and pain using heteramino benzofurans CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
US-4426380-A ANTIINFLAMMATORY, ANALGESIC, SUNSCREEN CIBA-GEIGY CORPORATION (US) 1984-01-17 US disclosed