SCHEMBL21159732

SCHEMBL21159732

N#Cc1ccccc1-c1ccc2ccccc2c1-c1ccc(C2N=C(c3ccccc3)NC(c3ccccc3)N2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ XDH P47989 1/20 0.31

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
SCHEMBL21160196 0.95 KDM4E (0.33) KDM4EMAPTMAPK1KMT2ANPC1
SCHEMBL21160343 0.89 NPC1 (0.39) NPC1RAB9A
SCHEMBL21160263 0.88 NPC1 (0.41) NPC1RAB9A
SCHEMBL21159670 0.87 NPC1 (0.40) NPC1RAB9A
SCHEMBL27460044 0.85 NPC1 (0.37) NPC1RAB9A
SCHEMBL18819547 0.85 KDM4E (0.34) KDM4EMAPTMAPK1KMT2ANPC1
SCHEMBL22809240 0.84 GPR84 (0.32) KDM4EKMT2A
SCHEMBL22842029 0.84 ABL1 (0.33) KDM4EMAPTMAPK1KMT2ANPC1
SCHEMBL21159672 0.84 ADORA2A (0.35) KDM4EMAPTMAPK1KMT2ANPC1
SCHEMBL21160342 0.84 NPC1 (0.38) NPC1RAB9A

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-3498804-B1 ORGANIC LIGHT EMITTING DEVICE LG CHEMICAL LTD (KR) 2020-06-03 — — EP disclosed
EP-3498804-A1 ORGANIC LIGHT EMITTING DEVICE LG Chem, Ltd. (KR) 2019-06-19 — — EP disclosed
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