SCHEMBL31399759

SCHEMBL31399759

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 6/20 0.43
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KMT2A Q03164 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ P2RY12 Q9H244 1/20 0.33

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 0.84 TGM2 (0.46) TGM2ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL31399739 0.83 TGM2 (0.46) TGM2ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL31399750 0.82 TGM2 (0.64) TGM2ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL31399713 0.79 ROCK2 (0.41) TGM2ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL31399689 0.75 TGM2 (0.44) TGM2ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL31399745 0.74 TGM2 (0.47) TGM2ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL31399681 0.70 ROCK2 (0.59) ALDH1A1TSHRSMN1; SMN2HTTHPGD
SCHEMBL31399722 0.70 TGM2 (0.64) TGM2ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL31399707 0.69 TGM2 (0.49) TGM2ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL31399687 0.69 ROCK2 (0.49) ALDH1A1TSHRSMN1; SMN2HTTHPGD

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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