SCHEMBL24899855

SCHEMBL24899855

COc1c(N)cccc1-c1ccc(S(C)(=O)=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 4/20 0.44
▸ ALOX5AP P20292 5/20 0.43
▸ FEN1 P39748 5/20 0.43
▸ KCNH2 Q12809 1/20 0.41
▸ PIM1 P11309 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ SCD O00767 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ TGFBR1 P36897 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ MAP4K4 O95819 1/20 0.35
▸ MINK1 Q8N4C8 1/20 0.35
▸ TNIK Q9UKE5 1/20 0.35
▸ G6PD P11413 1/20 0.35
▸ IDE P14735 1/20 0.35

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
SCHEMBL23925790 0.77 KDM1A (0.43) FYNALOX5APFEN1TGFBR1
SCHEMBL29740023 0.77 KDM1A (0.43) FYNALOX5APFEN1TGFBR1
SCHEMBL24804116 0.76 ALOX5AP (0.44) FYNALOX5APFEN1TGFBR1ACVR1
SCHEMBL26099039 0.75 MAPK1 (0.47) ALOX5APFEN1TGFBR1
SCHEMBL30392625 0.75 MAPK1 (0.47) ALOX5APFEN1TGFBR1
SCHEMBL23980129 0.73 TYK2 (0.44) FYNALOX5APFEN1TGFBR1ACVR1
SCHEMBL24498490 0.73 ALOX5AP (0.43) FYNALOX5APFEN1TYK2
SCHEMBL27295955 0.72 SMN1; SMN2 (0.47) TGFBR1JAK2JAK1TYK2JAK3
SCHEMBL24899738 0.72 ALOX5AP (0.36) FYNALOX5APFEN1
SCHEMBL31106622 0.71 ALOX5AP (0.49) FYNALOX5APFEN1TGFBR1ACVR1

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-2023284869-A1 SULFUR/PHOSPHORUS-CONTAINING ARYL COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 — — WO disclosed
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