SCHEMBL28624038

SCHEMBL28624038

CC(=N[S+]([O-])C(C)(C)C)C1(C)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ GPR119 Q8TDV5 4/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ POLB P06746 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
SCHEMBL23826972 1.00 USP2 (0.42) USP2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL23826974 1.00 USP2 (0.42) USP2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL29482377 1.00 USP2 (0.42) USP2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL28804351 0.79 USP2 (0.39) USP2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL28804350 0.79 USP2 (0.39) USP2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL29715682 0.79 USP2 (0.39) USP2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL12174992 0.79 USP2 (0.51) USP2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL20571388 0.78 USP2 (0.40) USP2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL20571390 0.78 USP2 (0.40) USP2SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL20571387 0.78 USP2 (0.40) USP2SMN1; SMN2ALDH1A1LMNAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109475531-B Heterocyclic inhibitors of PTPN11 得克萨斯州立大学董事会 2021-08-17 — — CN disclosed
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