SCHEMBL14979466

SCHEMBL14979466

CN/C(=C\C(=N)c1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.47
CTDSP1 Q9GZU7 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NQO2 P16083 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
F12 P00748 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
PKM P14618 1/20 0.35
CDC25B P30305 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL14979452 0.91 F2 (0.41) WDR5PRSS1PRSS2PRSS3MAPT
SCHEMBL23125733 0.79 MMP13 (0.37) NPC1RAB9AMAPTSMN1; SMN2NQO2
SCHEMBL19216883 0.78 SMN1; SMN2 (0.40) WDR5CTDSP1NPC1RAB9AMAPT
SCHEMBL18934328 0.78 SMN1; SMN2 (0.45) CTDSP1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL15034688 0.77 WDR5 (0.57) WDR5CTDSP1NPC1RAB9APRSS1
SCHEMBL16900978 0.77 WDR5 (0.57) WDR5CTDSP1NPC1RAB9APRSS1
SCHEMBL18198887 0.77 WDR5 (0.50) WDR5CTDSP1NPC1RAB9APRSS1
SCHEMBL22914406 0.76 C1S (0.49) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL22673604 0.76 AKT1 (0.47) NPC1RAB9AMAPTSMN1; SMN2PKM
SCHEMBL19233143 0.75 F2 (0.45) WDR5PRSS1PRSS2PRSS3MAPT

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
WO-2018070835-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2018-04-19 WO disclosed
WO-2013073859-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-05-23 WO disclosed