SCHEMBL9703263

SCHEMBL9703263

COc1ccc(-c2nc3cc4c(cc3[nH]2)n(C)c(=O)c(=O)n4C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.54
NPC1 O15118 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
PKM P14618 2/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
KMT2A Q03164 2/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
STAT1 P42224 1/20 0.53
HTT P42858 1/20 0.53
NPBWR1 P48145 1/20 0.53
SAE1 Q9UBE0 1/20 0.53

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
SCHEMBL10553321 0.85 LMNA (0.52) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9381752 0.83 ALDH1A1 (0.55) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL8603235 0.79 SLC2A1 (0.76) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9702950 0.79 SLC2A1 (0.59) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL2478174 0.77 NPC1 (0.68) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL10699867 0.76 NPC1 (0.58) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL419326 0.76 NPC1 (0.71) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9702909 0.75 SLC2A1 (0.55) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9599277 0.75 SLC2A1 (0.55) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL24074302 0.75 ALDH1A1 (0.63) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1

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-5116843-A Anticoagulants, hypotensive agents and cardiovascular disorder BOEHRINGER MANNHEIM GMBH (DE) 1992-05-26 US disclosed