SCHEMBL21160343

SCHEMBL21160343

N#Cc1ccc(-c2ccccc2-c2ccc3ccccc3c2-c2ccc(C3N=C(c4ccccc4)NC(c4ccccc4)N3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP19A1 P11511 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.34
▸ MYB P10242 1/20 0.30
▸ ABCG2 Q9UNQ0 1/20 0.30
▸ IDO1 P14902 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
SCHEMBL21160263 0.95 NPC1 (0.41) NPC1RAB9ACYP19A1SLC22A12MYB
SCHEMBL21159670 0.94 NPC1 (0.40) NPC1RAB9ACYP19A1SLC22A12MYB
SCHEMBL27460044 0.93 NPC1 (0.37) NPC1RAB9ACYP19A1SLC22A12MYB
SCHEMBL21160261 0.90 NPC1 (0.44) NPC1RAB9ACYP19A1ABCG2
SCHEMBL21160342 0.89 NPC1 (0.38) NPC1RAB9ACYP19A1SLC22A12MYB
SCHEMBL21159732 0.89 KDM4E (0.33) NPC1RAB9A
SCHEMBL21160196 0.88 KDM4E (0.33) NPC1RAB9A
SCHEMBL21160254 0.88 NPC1 (0.39) NPC1RAB9ACYP19A1ABCG2IDO1
SCHEMBL21159672 0.88 ADORA2A (0.35) NPC1RAB9ACYP19A1ABCG2
SCHEMBL21159977 0.86 NPC1 (0.46) NPC1RAB9ACYP19A1SLC22A12ABCG2

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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