SCHEMBL28756306

SCHEMBL28756306

COc1c(N)cc(C(C)(C)C)cc1CS(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.34
SRC P12931 1/20 0.34
SYK P43405 1/20 0.34
PKM P14618 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
GSK3A P49840 1/20 0.33
ATM Q13315 1/20 0.33
CYP2C19 P33261 1/20 0.32
ALOX12 P18054 1/20 0.31
BCL2A1 Q16548 1/20 0.31
ELANE P08246 1/20 0.31
CD69 Q07108 1/20 0.31
HSD17B2 P37059 1/20 0.30
POLB P06746 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL690781 0.88 MAPK14 (0.38) MAPK14SRCSYKPKMMAPT
SCHEMBL14612535 0.81 POLB (0.35) PKMMAPTMEN1ALDH1A1GAA
SCHEMBL689446 0.80 MAPT (0.41) MAPK14PKMMAPTMEN1ALDH1A1
SCHEMBL16829546 0.78 GSK3A (0.40) MAPK14SRCSYKGSK3A
SCHEMBL690103 0.75 POLB (0.44) PKMMAPTMEN1ALDH1A1GAA
SCHEMBL16829293 0.75 SRC (0.38) MAPK14SRCSYKPKMMAPT
SCHEMBL16829559 0.74 SRC (0.42) MAPK14SRCSYKGSK3A
SCHEMBL1935976 0.74 CYP2C19 (0.53) PKMMAPTMEN1ALDH1A1GAA
SCHEMBL1934356 0.74 MEN1 (0.36) PKMMAPTMEN1ALDH1A1GAA
SCHEMBL15743701 0.74 MAPK14 (0.37) MAPK14SRCSYKALDH1A1GSK3A

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-113717162-A Urea derivatives as kinase inhibitors 奥苏拉收购有限公司 2021-11-30 CN disclosed