SCHEMBL31399689

SCHEMBL31399689

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 14/20 0.44
▸ F13A1 P00488 11/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TGM1 P22735 8/20 0.42
▸ DTYMK P23919 1/20 0.41
▸ TGM3 Q08188 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CHRM1 P11229 1/20 0.40

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
SCHEMBL31399710 0.88 ALDH1A1 (0.49) TGM2F13A1ALDH1A1TSHRSMN1; SMN2
SCHEMBL31399739 0.86 TGM2 (0.46) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31399713 0.83 ROCK2 (0.41) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31399729 0.83 TGM2 (0.46) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31399716 0.83 CHRM1 (0.54) TGM2F13A1ALDH1A1TSHRSMN1; SMN2
SCHEMBL31399717 0.83 CHRM1 (0.54) TGM2F13A1ALDH1A1TSHRSMN1; SMN2
SCHEMBL31399690 0.82 HTR1A (0.35) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31399701 0.80 HSD11B1 (0.51) TGM2F13A1TGM1CHRM1
SCHEMBL31399681 0.79 ROCK2 (0.59) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL986377 0.78 TGM2 (0.43) TGM2F13A1ALDH1A1TSHRSMN1; SMN2

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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