SCHEMBL21863161

SCHEMBL21863161

C1=CC2Nc3cc4ccccc4cc3C2C=C1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.31
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NOX1 Q9Y5S8 1/20 0.30

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
SCHEMBL454276 0.77 HSPA1A (0.38) MAOAGAAMAPTMAPK1RAB9A
SCHEMBL19004692 0.77 HSPA1A (0.38) MAOAGAAMAPTMAPK1RAB9A
SCHEMBL15704498 0.77 HSPA1A (0.38) MAOAGAAMAPTMAPK1RAB9A
SCHEMBL24727347 0.75 KDM4E (0.41) MAOANPC1GAAMAPT
SCHEMBL20634086 0.75 KDM4E (0.39) MAOANPC1GAAMAPT
SCHEMBL19791003 0.73 AHR (0.47) MAPT
SCHEMBL12333958 0.73 TNKS2 (0.37) NPC1
SCHEMBL22087144 0.72
SCHEMBL20598496 0.70 HTR2A (0.32)
SCHEMBL9883211 0.70 HTR2A (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021261977-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2021-12-30 WO disclosed
WO-2020159334-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2020-08-06 WO disclosed
WO-2020071778-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DIODE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DIODE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT EMITTING DIODE 엘티소재주식회사 2020-04-09 WO disclosed