SCHEMBL31261865

SCHEMBL31261865

Cn1ncc2c(S(=O)(=O)N3CCN(C(=O)CNC(=O)OC(C)(C)C)CC3)cccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.48
▸ TGM2 P21980 5/20 0.47
▸ MAPK8 P45983 1/20 0.43
▸ FNTA P49354 2/20 0.41
▸ FNTB P49356 2/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ 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 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ CCR4 P51679 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ CCR1 P32246 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
SCHEMBL17076468 0.79 TGM2 (0.72) SIGMAR1TGM2FNTAFNTBNPC1
SCHEMBL31399736 0.79 TGM2 (0.49) SIGMAR1TGM2MAPK8FNTAFNTB
SCHEMBL4194658 0.79 ROCK2 (0.59) TGM2MEN1KMT2A
SCHEMBL31399707 0.78 TGM2 (0.49) SIGMAR1TGM2MAPK8FNTAFNTB
SCHEMBL31399709 0.78 TGM2 (0.54) SIGMAR1TGM2MAPK8FNTAFNTB
SCHEMBL31399728 0.76 MAPK8 (0.50) SIGMAR1TGM2MAPK8FNTAFNTB
SCHEMBL31399739 0.76 TGM2 (0.46) SIGMAR1TGM2MAPK8FNTAFNTB
SCHEMBL4194503 0.75 ROCK2 (0.49) SIGMAR1TGM2FNTAFNTBNPC1
SCHEMBL31399737 0.75 TGM2 (0.49) SIGMAR1TGM2MAPK8FNTAFNTB
SCHEMBL5309193 0.73 MMP1 (0.52) SIGMAR1TGM2PKMALDH1A1KMT2A

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-4739671-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 — — EP disclosed
WO-2025008627-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 — — WO disclosed
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