SCHEMBL7322870

SCHEMBL7322870

COc1ccc(S(=O)(=O)NCC(N)CC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53
SLC1A1 P43005 1/20 0.53
ALDH1A1 P00352 6/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 1/20 0.52
CA2 P00918 2/20 0.50
MMP2 P08253 2/20 0.50
MEP1B Q16820 1/20 0.50
CA9 Q16790 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA1 P00915 1/20 0.49
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
TBXAS1 P24557 2/20 0.48

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
SCHEMBL7798915 0.85 ALDH1A1 (0.54) ALDH1A1PKMTSHRCA2MMP2
SCHEMBL7329249 0.85 GBA1 (0.63) SLC1A3SLC1A2SLC1A1ALDH1A1TSHR
SCHEMBL4173740 0.78 MEP1B (0.67) ALDH1A1PKMTSHRCA2MMP2
SCHEMBL27451020 0.78 ALDH1A1 (0.55) SLC1A3SLC1A2SLC1A1ALDH1A1PKM
SCHEMBL6321537 0.77 ALDH1A1 (0.63) ALDH1A1PKMTSHRCA2MMP2
SCHEMBL8029643 0.76 ALDH1A1 (0.65) ALDH1A1PKMCA2MMP2GAA
SCHEMBL2945763 0.76 ALDH1A1 (0.69) ALDH1A1PKMTSHRMEP1BGAA
SCHEMBL7391079 0.75 KEAP1 (0.62) SLC1A3SLC1A2SLC1A1CA2MMP2
SCHEMBL7425855 0.75 KEAP1 (0.62) SLC1A3SLC1A2SLC1A1CA2MMP2
SCHEMBL7413723 0.75 MEP1B (0.62) ALDH1A1PKMCA2MMP2MEP1B

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-5264457-A Phenyl amidines sulfonamides useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1993-11-23 US disclosed
WO-1993016038-A1 PHENYL AMIDINES SULFONAMIDES USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-08-19 WO disclosed