SCHEMBL31399745

SCHEMBL31399745

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 9/20 0.47
▸ ALDH1A1 P00352 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CHRM1 P11229 1/20 0.36
▸ ROCK2 O75116 3/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PRKX P51817 1/20 0.34
▸ PRKCE Q02156 1/20 0.34
▸ PRKCD Q05655 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ PRKD1 Q15139 1/20 0.34

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
SCHEMBL31399750 0.83 TGM2 (0.64) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31399713 0.82 ROCK2 (0.41) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31399729 0.82 TGM2 (0.46) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31261867 0.80 HTR6 (0.32) TGM2HTT
SCHEMBL31399689 0.78 TGM2 (0.44) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31399739 0.78 TGM2 (0.46) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31399690 0.75 HTR1A (0.35) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31399759 0.74 TGM2 (0.43) TGM2ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL31399681 0.73 ROCK2 (0.59) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA
SCHEMBL31399687 0.72 ROCK2 (0.49) ALDH1A1TSHRSMN1; SMN2KDM4ELMNA

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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