SCHEMBL31399768

SCHEMBL31399768

C=CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2cccc3c(N(CC)CC)cccc23)CC1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 14/20 0.82
▸ KMT2A Q03164 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ F13A1 P00488 2/20 0.39
▸ TGM1 P22735 2/20 0.39

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
SCHEMBL17076473 0.90 TGM2 (1.00) TGM2KMT2AATM
SCHEMBL18883345 0.79 TGM2 (0.75) TGM2KMT2AATMSMN1; SMN2ALDH1A1
SCHEMBL31399722 0.77 TGM2 (0.64) TGM2SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL17084544 0.76 TGM2 (0.74) TGM2KMT2AATM
SCHEMBL17076471 0.76 TGM2 (0.74) TGM2KMT2AATM
SCHEMBL31399750 0.75 TGM2 (0.64) TGM2SMN1; SMN2ALDH1A1TSHRKDM4E
SCHEMBL17076468 0.74 TGM2 (0.72) TGM2KMT2AATMALDH1A1TSHR
SCHEMBL19463148 0.72 TGM2 (0.73) TGM2KMT2AATM
SCHEMBL571878 0.71 TGM2 (0.68) TGM2KMT2AATMSMN1; SMN2ALDH1A1
SCHEMBL17076474 0.71 TGM2 (0.68) TGM2KMT2AATMSMN1; SMN2HTT

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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