SCHEMBL19001848

SCHEMBL19001848

O=C1c2ccccc2-c2c1cccc2-c1cccc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 2/20 0.53
LMNA P02545 2/20 0.53
APAF1 O14727 1/20 0.53
THRB P10828 1/20 0.53
XBP1 P17861 1/20 0.53
PTBP1 P26599 1/20 0.53
HTT P42858 1/20 0.53
GALK1 P51570 1/20 0.53
BLM P54132 1/20 0.53
SMAD3 P84022 1/20 0.53
ATM Q13315 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
EDNRB P24530 1/20 0.46
EDNRA P25101 1/20 0.46

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
SCHEMBL19001856 0.88 L3MBTL1 (0.52) MAPTL3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL16491897 0.88 MEN1 (0.55) MAPTL3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL19001705 0.85 MAPT (0.58) MAPTL3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL28937875 0.80 L3MBTL1 (0.62) MAPTL3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL1038974 0.79 ADORA2A (0.57) MAPTL3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL22187708 0.79 MEN1 (0.52) MAPTL3MBTL1RAB9ASMN1; SMN2MEN1
Anthraquinone SCHEMBL27901882 0.79 MEN1 (0.67) MAPTL3MBTL1RAB9ASMN1; SMN2MEN1
SCHEMBL19001853 0.78 NPC1 (0.78) MAPTL3MBTL1RAB9ASMN1; SMN2MEN1
Anthraquinone SCHEMBL27283959 0.78 MEN1 (0.75) MAPTL3MBTL1RAB9ASMN1; SMN2MEN1
Ammonia Solution, Strong SCHEMBL27523091 0.78 ADORA2A (0.55) MAPTL3MBTL1RAB9ASMN1; SMN2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390365-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-04-14 EP disclosed
WO-2017102063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed