SCHEMBL31399729

SCHEMBL31399729

CNCC(=O)N1CCN(S(=O)(=O)c2cccc3c(OC(F)F)nccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 6/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CHRM1 P11229 1/20 0.39
▸ ROCK2 O75116 5/20 0.39
▸ ROCK1 Q13464 2/20 0.37
▸ PRKX P51817 1/20 0.37
▸ PRKCE Q02156 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ PRKD1 Q15139 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MET P08581 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
SCHEMBL31399739 0.88 TGM2 (0.46) TGM2SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL31399713 0.88 ROCK2 (0.41) TGM2SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL31399750 0.87 TGM2 (0.64) TGM2SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL31399759 0.84 TGM2 (0.43) TGM2SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL31399689 0.83 TGM2 (0.44) TGM2SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL31399745 0.82 TGM2 (0.47) TGM2SMN1; SMN2ALDH1A1TSHRGAA
SCHEMBL31399681 0.78 ROCK2 (0.59) SMN1; SMN2ALDH1A1TSHRKDM4ELMNA
SCHEMBL31261834 0.78 MET (0.35) ALDH1A1GAAKDM4EHPGDMET
SCHEMBL31399687 0.76 ROCK2 (0.49) SMN1; SMN2ALDH1A1TSHRKDM4ELMNA
SCHEMBL31399722 0.74 TGM2 (0.64) TGM2SMN1; SMN2ALDH1A1TSHRGAA

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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