SCHEMBL16436719

SCHEMBL16436719

c1ccc2nc(-c3ccc(-c4nc(-c5ccc(-c6cnc7ccccc7n6)cc5)c5cc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5n4)cc3)cnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.43
RAB9A P51151 8/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
BCHE P06276 1/20 0.43
MAPT P10636 6/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
TLR9 Q9NR96 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34

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
SCHEMBL21664842 0.93 PIK3CD (0.43) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL16436545 0.90 NPC1 (0.42) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL16436635 0.90 NPC1 (0.42) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL16436606 0.88 NPC1 (0.45) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL16436689 0.88 NPC1 (0.45) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL16436698 0.86 ACACA (0.46) SMN1; SMN2MAPTKDM4EALDH1A1HPGD
SCHEMBL16436688 0.86 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL16436521 0.85 NPC1 (0.42) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL16436511 0.85 NPC1 (0.38) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL16436692 0.84 MEN1 (0.45) SMN1; SMN2MAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2842954-B1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME, AND DISPLAY DEVICE CONTAINING SAID ORGANIC LIGHT EMITTING DEVICE SAMSUNG SDI CO LTD (KR) 2020-02-05 EP disclosed
US-9324948-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode SAMSUNG SDI CO., LTD. (KR) 2016-04-26 US disclosed
US-9324948-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode SAMSUNG SDI CO., LTD. (KR) 2016-04-26 US disclosed
US-20150034938-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-02-05 US disclosed
US-20150034938-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-02-05 US disclosed