SCHEMBL31399743

SCHEMBL31399743

COc1nccc2c(S(=O)(=O)N3CCN(C4CN(C(=O)OC(C)(C)C)C4)CC3)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ CHRM1 P11229 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ F13A1 P00488 3/20 0.38
▸ TGM2 P21980 3/20 0.38
▸ TGM1 P22735 2/20 0.38
▸ GPR119 Q8TDV5 2/20 0.37
▸ TNF P01375 2/20 0.37
▸ LITAF Q99732 2/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ PRKX P51817 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
SCHEMBL31399710 0.90 ALDH1A1 (0.49) CHRM1ALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL23795420 0.79 MMP13 (0.45) GPR119ROCK2ROCK1
SCHEMBL23810437 0.79 MMP13 (0.45) GPR119ROCK2ROCK1
SCHEMBL31399689 0.79 TGM2 (0.44) CHRM1ALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL24178165 0.77 MMP13 (0.43) CHRM1
SCHEMBL23795403 0.77 MMP13 (0.43) CHRM1
SCHEMBL30439175 0.77 MMP13 (0.43) CHRM1
SCHEMBL31399716 0.77 CHRM1 (0.54) CHRM1ALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL31399717 0.77 CHRM1 (0.54) CHRM1ALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL31399719 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TSHRKDM4ELMNA

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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