SCHEMBL11102445

SCHEMBL11102445

CC(=O)OC1CN(C)C(=O)N1c1nc2c(s1)C(=O)CC(C)(C)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PIK3CA P42336 9/20 0.46
PIK3CD O00329 8/20 0.46
PIK3CB P42338 8/20 0.46
PIK3CG P48736 8/20 0.46
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL10371515 0.90 ALDH1A1 (0.48) ALDH1A1NPC1RAB9APIK3CAPIK3CD
SCHEMBL10829025 0.89 ALDH1A1 (0.45) ALDH1A1NPC1RAB9APIK3CAPIK3CD
SCHEMBL11099424 0.87 ALDH1A1 (0.43) ALDH1A1NPC1RAB9APIK3CAPIK3CD
SCHEMBL11107762 0.87 ALDH1A1 (0.51) ALDH1A1NPC1RAB9APIK3CAPIK3CD
SCHEMBL11105244 0.85 ALDH1A1 (0.48) ALDH1A1NPC1RAB9APIK3CAPIK3CD
SCHEMBL11112841 0.84 ALDH1A1 (0.44) ALDH1A1NPC1RAB9APIK3CAPIK3CD
SCHEMBL11111699 0.82 ALDH1A1 (0.53) ALDH1A1NPC1RAB9APIK3CAPIK3CD
SCHEMBL10731620 0.82 PIK3CD (0.46) PIK3CAPIK3CDPIK3CBPIK3CGHPGD
SCHEMBL11109400 0.82 PIK3CA (0.44) ALDH1A1NPC1RAB9APIK3CAPIK3CD
SCHEMBL11107969 0.80 ALDH1A1 (0.46) ALDH1A1NPC1RAB9APIK3CAPIK3CD

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
US-4481027-A POSTEMERGENCE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-11-06 US claimed