SCHEMBL25901635

SCHEMBL25901635

CC(C)(C)OC(=O)N1CC(N2CCCS2(=O)=O)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.42
HPGD P15428 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PREP P48147 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.37
USP30 Q70CQ3 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
EPHX2 P34913 1/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL3461672 0.87 HPGD (0.50) HPGDUSP2SMN1; SMN2EPHX1ALDH1A1
SCHEMBL22595464 0.83 HPGD (0.52) HPGDUSP2SMN1; SMN2EPHX1ALDH1A1
SCHEMBL337749 0.81 USP30 (0.43) NR1H2HPGDUSP2SMN1; SMN2EPHX1
SCHEMBL15770180 0.81 USP30 (0.43) NR1H2HPGDUSP2SMN1; SMN2EPHX1
SCHEMBL2674513 0.76 NR1H2 (0.44) NR1H2HPGDUSP2SMN1; SMN2EPHX1
SCHEMBL24359058 0.74 NR1H2 (0.49) NR1H2HPGDUSP2SMN1; SMN2EPHX1
SCHEMBL15664395 0.74 HPGD (0.51) NR1H2HPGDUSP2SMN1; SMN2EPHX1
SCHEMBL20743068 0.73 HPGD (0.54) NR1H2HPGDUSP2SMN1; SMN2EPHX1
SCHEMBL4629128 0.73 USP2 (0.41) HPGDUSP2SMN1; SMN2EPHX1MEN1
SCHEMBL3461675 0.72 HPGD (0.50) HPGDUSP2SMN1; SMN2EPHX1ALDH1A1

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
WO-2023134266-A1 2-PIPERIDYL OR 2-PYRAZOLYL SUBSTITUTED PYRIMIDINE COMPOUND SERVING AS EGFR INHIBITOR 苏州浦合医药科技有限公司 2023-07-20 WO disclosed