SCHEMBL13448367

SCHEMBL13448367

Cc1cc(C)cc(-c2cccc(-c3ccccc3-c3ccccc3-c3cccc(-c4ccccc4N)c3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.40
ENPP3 O14638 1/20 0.38
MAOA P21397 1/20 0.38
ADORA1 P30542 3/20 0.38
CHEK1 O14757 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
PRKACA P17612 1/20 0.38
LTK P29376 1/20 0.38

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
SCHEMBL13447766 0.95 ALDH1A1 (0.44) ALDH1A1HSD17B10L3MBTL1ENPP3MAOA
SCHEMBL397078 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10L3MBTL1ENPP3ADORA1
SCHEMBL18614705 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10L3MBTL1ADORA1ADORA2A
SCHEMBL18960512 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10L3MBTL1ENPP3MAOA
SCHEMBL13447739 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10L3MBTL1LCKKDR
Hydrochloric Acid SCHEMBL9311559 0.82 ALDH1A1 (0.56) ALDH1A1HSD17B10L3MBTL1ENPP3ADORA1
SCHEMBL5162068 0.81 ALDH1A1 (0.71) ALDH1A1HSD17B10L3MBTL1MAOAMAP4K4
SCHEMBL18960513 0.80 MAOA (0.61) ALDH1A1HSD17B10L3MBTL1MAOAMAP4K4
SCHEMBL16616587 0.79 ALDH1A1 (0.70) ALDH1A1HSD17B10L3MBTL1MAOANPC1
SCHEMBL29777433 0.79 ALDH1A1 (0.70) ALDH1A1HSD17B10L3MBTL1MAOANPC1

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-2166592-A1 ORGANIC EL DEVICE Idemitsu Kosan Co., Ltd. (JP) 2010-03-24 EP disclosed