SCHEMBL28174451

SCHEMBL28174451

CCc1cccc(-c2cccc(N)c2N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.42
BCL2 P10415 1/20 0.42
IDO1 P14902 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
NOTUM Q6P988 1/20 0.39
PTGS2 P35354 1/20 0.39
LRRK2 Q5S007 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL4701513 0.87 ALDH1A1 (0.52) HTR7BCL2IDO1NISCHNOTUM
Hydrochloric Acid SCHEMBL27971810 0.83 BCL2 (0.44) HTR7BCL2IDO1NISCHNOTUM
SCHEMBL31203102 0.81 BCL2 (0.40) HTR7BCL2IDO1NISCHNOTUM
Methane SCHEMBL19923216 0.80 USP7 (0.39) HTR7BCL2IDO1NISCHNOTUM
Sulfuric Acid SCHEMBL28250892 0.78 BCL2 (0.43) HTR7BCL2IDO1NISCHNOTUM
SCHEMBL6011731 0.77 BCL2 (0.41) HTR7BCL2IDO1NISCHNOTUM
SCHEMBL27506720 0.77 BCL2 (0.41) HTR7BCL2IDO1NISCHNOTUM
SCHEMBL8459741 0.77 TP53 (0.52) HTR7BCL2IDO1NISCHNOTUM
Propane SCHEMBL9646509 0.77 ALDH1A1 (0.58) ALDH1A1NPC1MAPTMAPK1RAB9A
Propane SCHEMBL10492409 0.77 ALDH1A1 (0.58) ALDH1A1NPC1MAPTMAPK1RAB9A

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
CN-107074896-A Electroluminescent Imidazoquinoxaline Carbene Metal Complexes UDC 爱尔兰有限责任公司 2017-08-18 CN disclosed