SCHEMBL9702950

SCHEMBL9702950

COc1ccc(-c2nc3cc4[nH]c(=O)c(=O)[nH]c4cc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.59
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
RAB9A P51151 4/20 0.58
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
PKM P14618 2/20 0.58
MAPT P10636 3/20 0.57
MEN1 O00255 2/20 0.57
LMNA P02545 2/20 0.57
KMT2A Q03164 2/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
GAA P10253 1/20 0.57
MAPK1 P28482 1/20 0.57
STAT1 P42224 1/20 0.57
HTT P42858 1/20 0.57
NPBWR1 P48145 1/20 0.57
SAE1 Q9UBE0 1/20 0.57

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
SCHEMBL10699867 0.83 NPC1 (0.58) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9702909 0.82 SLC2A1 (0.55) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9599277 0.82 SLC2A1 (0.55) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL419326 0.80 NPC1 (0.71) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL8603235 0.80 SLC2A1 (0.76) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL24074302 0.79 ALDH1A1 (0.63) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL10553321 0.79 LMNA (0.52) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9378150 0.79 ALDH1A1 (0.62) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL9703263 0.79 SLC2A1 (0.54) SLC2A1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL20982659 0.79 NPC1 (0.85) 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 2 patents. 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
EP-0275888-A2 Tricyclic benzimidazoles, process for their preparation and use as medicaments Roche Diagnostics GmbH (DE) 1988-07-27 EP disclosed