SCHEMBL22328707

SCHEMBL22328707

C=C(/C=C(\N=C(/C)c1ccc(C)cc1)c1ccc(-c2ccc(C)cc2)cc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
MAOB P27338 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALOX12 P18054 1/20 0.32
POLB P06746 3/20 0.32
CTSL P07711 1/20 0.32

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
SCHEMBL19142681 0.99 SMN1; SMN2 (0.36) CES2CES1SMN1; SMN2RAB9ANPC1
SCHEMBL23049326 0.83 NPC1 (0.38) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL22328736 0.83 NPC1 (0.38) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL24061723 0.81 NFE2L2 (0.38) CES2CES1SMN1; SMN2RAB9ANPC1
SCHEMBL19199753 0.81 KMO (0.35) SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL12530737 0.80 KDM4E (0.38) RAB9ANPC1MAPTL3MBTL1LMNA
SCHEMBL19139313 0.80 MAPT (0.39) SMN1; SMN2MEN1KMT2AMAPTL3MBTL1
SCHEMBL19142011 0.78 MAPT (0.37) SMN1; SMN2MEN1KMT2AMAPTMAOB
SCHEMBL21725383 0.78 NPC1 (0.51) RAB9ANPC1MAPT
SCHEMBL25454227 0.77 MAPT (0.35) SMN1; SMN2KMT2AMAPTMAOBL3MBTL1

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-3192848-B1 ORGANIC LIGHT EMITTING DIODE LG CHEMICAL LTD (KR) 2020-08-12 EP disclosed