SCHEMBL9013312

SCHEMBL9013312

c1c[nH]c(-c2ncc[nH]2)n1.c1cn(-c2ncc[nH]2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
NISCH Q9Y2I1 2/20 0.36
MTOR P42345 1/20 0.36
ADK P55263 1/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ENPP2 Q13822 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
NOTUM Q6P988 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
CYP19A1 P11511 1/20 0.34
HIPK2 Q9H2X6 1/20 0.33
CYP2A6 P11509 1/20 0.33
CBFB Q13951 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL333104 0.93 CYP3A4 (0.41) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL27827547 0.72 IDO1 (0.49) CYP3A4NISCHMTORADKLMNA
SCHEMBL114028 0.72 HIPK2 (0.41) NISCHMTORADKHIPK2MEN1
SCHEMBL81650 0.71 NISCH (0.59) CYP3A4NISCHMTORADKPDE4A
Hydrochloric Acid SCHEMBL1536214 0.68 NISCH (0.56) CYP3A4NISCHMTORADKPDE4A
SCHEMBL28425230 0.68 NISCH (0.56) CYP3A4NISCHMTORADKPDE4A
SCHEMBL1916742 0.63 CYP3A4 (0.38) CYP3A4LMNAMAPTENPP2MKNK1
2-Phenylimidazole SCHEMBL28232095 0.62 NISCH (0.64) CYP3A4NISCHMTORADKLMNA
SCHEMBL8128240 0.62 CYP3A4 (0.37) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL16923117 0.61 CYP3A4 (0.54) CYP3A4LMNAMAPTENPP2MKNK1

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-5512551-A Benzohydroxymoylazole derivatives and insecticide including the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1996-04-30 US disclosed