SCHEMBL31399750

SCHEMBL31399750

C=CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc3c(OC(F)F)nccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 14/20 0.64
▸ CHRM1 P11229 1/20 0.37
▸ ROCK2 O75116 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TGM1 P22735 3/20 0.36
▸ F13A1 P00488 2/20 0.36
▸ PRKX P51817 1/20 0.35
▸ PRKCE Q02156 1/20 0.35
▸ PRKCD Q05655 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ PRKD1 Q15139 1/20 0.35
▸ GPR183 P32249 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
SCHEMBL31399729 0.87 TGM2 (0.46) TGM2CHRM1ROCK2KDM4EALDH1A1
SCHEMBL31399722 0.86 TGM2 (0.64) TGM2CHRM1ROCK2KDM4EALDH1A1
SCHEMBL31399739 0.86 TGM2 (0.46) TGM2CHRM1ROCK2KDM4EALDH1A1
SCHEMBL31399713 0.84 ROCK2 (0.41) TGM2CHRM1ROCK2KDM4EALDH1A1
SCHEMBL31399745 0.83 TGM2 (0.47) TGM2CHRM1ROCK2KDM4EALDH1A1
SCHEMBL31399759 0.82 TGM2 (0.43) TGM2CHRM1ROCK2KDM4EALDH1A1
SCHEMBL31261886 0.80 TGM2 (0.44) TGM2HTTSMN1; SMN2TGM1F13A1
SCHEMBL31399689 0.78 TGM2 (0.44) TGM2CHRM1KDM4EALDH1A1LMNA
SCHEMBL17076473 0.77 TGM2 (1.00) TGM2
SCHEMBL31399768 0.75 TGM2 (0.82) TGM2KDM4EALDH1A1LMNAGAA

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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