SCHEMBL10695078

SCHEMBL10695078

CCCCN1C(=O)C(C)(C)c2cc3nc(-c4ccc(OC)cc4)[nH]c3cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
SLC2A1 P11166 1/20 0.45
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
STAT1 P42224 1/20 0.44
HTT P42858 1/20 0.44
NPBWR1 P48145 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44

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
SCHEMBL13341481 0.96 AURKA (0.45) AURKAAURKBSLC2A1NPC1SMN1; SMN2
SCHEMBL2488324 0.96 AURKA (0.51) AURKAAURKBSLC2A1NPC1SMN1; SMN2
SCHEMBL13341269 0.93 AURKA (0.50) AURKAAURKBSLC2A1NPC1SMN1; SMN2
SCHEMBL13341476 0.91 SLC2A1 (0.42) AURKAAURKBSLC2A1NPC1SMN1; SMN2
SCHEMBL10701197 0.90 AURKA (0.57) AURKAAURKBSLC2A1NPC1SMN1; SMN2
SCHEMBL10700220 0.89 SLC2A1 (0.46) AURKAAURKBSLC2A1NPC1SMN1; SMN2
SCHEMBL10700270 0.89 AURKA (0.47) AURKAAURKBSLC2A1NPC1SMN1; SMN2
SCHEMBL13341494 0.89 AURKA (0.49) AURKAAURKBSLC2A1NPC1SMN1; SMN2
SCHEMBL10696394 0.87 PDE4A (0.52) AURKAAURKBNPC1SMN1; SMN2RAB9A
SCHEMBL13341472 0.87 SLC2A1 (0.43) AURKAAURKBSLC2A1NPC1SMN1; SMN2

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
EP-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed