SCHEMBL31399722

SCHEMBL31399722

[2H]C([2H])([2H])Oc1nccc2c(S(=O)(=O)N3CCN(C(=O)CNC(=O)C=C)CC3)cccc12

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 11/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ROCK2 O75116 3/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ F13A1 P00488 1/20 0.36
▸ TGM1 P22735 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36

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
SCHEMBL31399750 0.86 TGM2 (0.64) TGM2SMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL17076473 0.78 TGM2 (1.00) TGM2
SCHEMBL31399768 0.77 TGM2 (0.82) TGM2SMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL31399751 0.75 ROCK2 (0.59) SMN1; SMN2ALDH1A1TSHRHTTLMNA
SCHEMBL31399729 0.74 TGM2 (0.46) TGM2SMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL31399739 0.74 TGM2 (0.46) TGM2SMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL31399736 0.72 TGM2 (0.49) TGM2SMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL31399710 0.71 ALDH1A1 (0.49) TGM2SMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL31399707 0.71 TGM2 (0.49) TGM2SMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL31399713 0.69 ROCK2 (0.41) TGM2SMN1; SMN2ALDH1A1TSHRHTT

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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