SCHEMBL23569352

SCHEMBL23569352

COC(=O)CCS(=O)(=O)c1cc(F)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.39
MAPK1 P28482 1/20 0.39
MITF O75030 1/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
S1PR1 P21453 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 5/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KAT2B Q92831 4/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL23568847 0.72 KMT2A (0.42) SMN1; SMN2MITFS1PR4LMNAHPGD
SCHEMBL23569353 0.69 CXCR1 (0.40) LMNAHTTMAPTCA12CA2
SCHEMBL23406137 0.66 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHPGDHTTNPSR1
SCHEMBL28101227 0.65 MAPT (0.59) SMN1; SMN2MITFS1PR4LMNAHPGD
SCHEMBL7874157 0.64 KMT2A (0.71) MAPK1LMNAALDH1A1KMT2ACYP3A4
SCHEMBL11922841 0.64 TSHR (0.55) LMNAHTTMAPTCA12CA2
SCHEMBL23406145 0.63 HTT (0.42) SMN1; SMN2MITFS1PR4LMNAHPGD
SCHEMBL9330309 0.63 VCAM1 (0.49) SMN1; SMN2MITFS1PR4LMNAHPGD
SCHEMBL7870908 0.63 ALDH1A1 (0.62) LMNAHTTNPSR1MAPTALDH1A1
SCHEMBL7874047 0.63 KMT2A (0.53) LMNAHTTNPSR1MAPTALDH1A1

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
WO-2021123237-A1 2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDENE)ACETAMIDE COMPOUNDS AND THEIR THERAPEUTIC USE Oxford Drug Design Limited (GB) 2021-06-24 WO disclosed