SCHEMBL29740650

SCHEMBL29740650

Nc1cccc(N2CCOCC2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.49
PIK3CA P42336 2/20 0.49
PIK3CG P48736 2/20 0.49
PIK3CB P42338 1/20 0.49
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
F10 P00742 2/20 0.47
ADRA2C P18825 1/20 0.44
MAP4K1 Q92918 5/20 0.43
PTGS2 P35354 4/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL20124865 1.00 PIK3CD (0.49) PIK3CDPIK3CAPIK3CGPIK3CBDDB1
SCHEMBL793560 0.83 PIK3CD (0.47) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL20502398 0.83 ALDH1A1 (0.48) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL13097259 0.83 F10 (0.49) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL2940366 0.83 MAP4K1 (0.50) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL1438679 0.83 PIK3CD (0.46) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL10272402 0.83 ALDH1A1 (0.52) PIK3CDPIK3CAPIK3CGPIK3CBF10
Hydrochloric Acid SCHEMBL793754 0.82 PIK3CD (0.46) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL8230773 0.82 F10 (0.49) PIK3CDPIK3CAPIK3CGPIK3CBF10
SCHEMBL198132 0.81 PTGS2 (0.57) F10PTGS2MEN1KMT2A

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-111721858-B Method for determining genotoxic impurities in rivaroxaban 杭州华东医药集团新药研究院有限公司 2022-07-01 CN disclosed