SCHEMBL31399713

SCHEMBL31399713

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.41
▸ PRKX P51817 1/20 0.41
▸ PRKCE Q02156 1/20 0.41
▸ PRKCD Q05655 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ PRKD1 Q15139 1/20 0.41
▸ TGM2 P21980 5/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ CNR1 P21554 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
SCHEMBL31399729 0.88 TGM2 (0.46) ROCK2PRKXPRKCEPRKCDROCK1
SCHEMBL31399750 0.84 TGM2 (0.64) ROCK2PRKXPRKCEPRKCDROCK1
SCHEMBL31399689 0.83 TGM2 (0.44) TGM2CHRM1SMN1; SMN2ALDH1A1TSHR
SCHEMBL31399739 0.83 TGM2 (0.46) ROCK2TGM2CHRM1SMN1; SMN2ALDH1A1
SCHEMBL31399745 0.82 TGM2 (0.47) ROCK2PRKXPRKCEPRKCDROCK1
SCHEMBL31399681 0.80 ROCK2 (0.59) ROCK2PRKXPRKCEPRKCDROCK1
SCHEMBL31399759 0.79 TGM2 (0.43) ROCK2TGM2CHRM1SMN1; SMN2ALDH1A1
SCHEMBL31399687 0.79 ROCK2 (0.49) ROCK2PRKXPRKCEPRKCDROCK1
SCHEMBL31399690 0.75 HTR1A (0.35) ROCK2PRKXPRKCEPRKCDROCK1
SCHEMBL17076474 0.73 TGM2 (0.68) TGM2SMN1; 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
Send feedback