SCHEMBL31399737

SCHEMBL31399737

CN(c1nccc2c(S(=O)(=O)N3CCN(C(=O)CNC(=O)OC(C)(C)C)CC3)cccc12)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 6/20 0.49
▸ MAPK8 P45983 1/20 0.44
▸ FNTA P49354 2/20 0.42
▸ FNTB P49356 2/20 0.42
▸ SIGMAR1 Q99720 1/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ JAK1 P23458 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MMP1 P03956 2/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ ADAM17 P78536 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
SCHEMBL31399709 0.92 TGM2 (0.54) TGM2MAPK8FNTAFNTBSIGMAR1
SCHEMBL31399728 0.85 MAPK8 (0.50) TGM2MAPK8FNTAFNTBSIGMAR1
SCHEMBL31399736 0.85 TGM2 (0.49) TGM2MAPK8FNTAFNTBSIGMAR1
SCHEMBL31399707 0.84 TGM2 (0.49) TGM2MAPK8FNTAFNTBSIGMAR1
SCHEMBL17076468 0.82 TGM2 (0.72) TGM2FNTAFNTBSIGMAR1MEN1
SCHEMBL31399739 0.81 TGM2 (0.46) TGM2MAPK8FNTAFNTBSIGMAR1
SCHEMBL4194658 0.77 ROCK2 (0.59) TGM2MEN1KMT2AROCK2ROCK1
SCHEMBL31261865 0.75 SIGMAR1 (0.48) TGM2MAPK8FNTAFNTBSIGMAR1
SCHEMBL4194503 0.71 ROCK2 (0.49) TGM2FNTAFNTBSIGMAR1MMP1
SCHEMBL4183287 0.69 ROCK2 (0.62) TGM2MEN1KMT2AROCK2ROCK1

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
EP-4739672-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 — — EP disclosed
WO-2025008626-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 — — WO disclosed
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