SCHEMBL13898960

SCHEMBL13898960

CS(=O)(=O)c1ccc(Oc2ccc(S)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.48
HTT P42858 6/20 0.48
LMNA P02545 5/20 0.48
ALDH1A1 P00352 5/20 0.48
ENPP2 Q13822 1/20 0.45
PTGS2 P35354 3/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
MDM2 Q00987 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.43
SOS1 Q07889 1/20 0.42
PTGS1 P23219 2/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL11547843 0.89 HTT (0.58) SMN1; SMN2HTTLMNAALDH1A1ENPP2
SCHEMBL487226 0.87 ENPP2 (0.56) ENPP2PTGS2
Water SCHEMBL28883186 0.84 ENPP2 (0.54) ENPP2PTGS2
Water SCHEMBL22687010 0.84 ENPP2 (0.54) ENPP2PTGS2
SCHEMBL27090263 0.83 HTT (0.55) SMN1; SMN2HTTLMNAALDH1A1NPC1
SCHEMBL8941654 0.83 PTGS2 (0.56) SMN1; SMN2HTTLMNAALDH1A1ENPP2
SCHEMBL7359540 0.81 SOS1 (0.64) SMN1; SMN2HTTLMNAPTGS2TSHR
SCHEMBL13814624 0.81 HTT (0.63) SMN1; SMN2HTTLMNAALDH1A1PTGS2
SCHEMBL8005674 0.81 PKM (0.61) PTGS2NPC1RAB9APTGS1
SCHEMBL2758531 0.81 HTT (0.63) SMN1; SMN2HTTLMNAALDH1A1PTGS2

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-7504537-B2 Hydroxamic acid derivative and MMP inhibitor containing the same as active ingredient DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-03-17 US disclosed
US-7504537-B2 Hydroxamic acid derivative and MMP inhibitor containing the same as active ingredient DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-03-17 US disclosed