SCHEMBL22736604

SCHEMBL22736604

c1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4ccc(-c6cccc(-c7nc8ccccc8s7)c6)cc45)cc3)nc(-c3cccc4sc5ccccc5c34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.41
▸ MAPT P10636 7/20 0.41
▸ KDM4E B2RXH2 7/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ NFKB1 P19838 4/20 0.41
▸ NFKB2 Q00653 4/20 0.41
▸ RELA Q04206 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ TP53 P04637 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ APP P05067 6/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ ALOX5 P09917 1/20 0.37

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
SCHEMBL22736377 0.98 RAB9A (0.42) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22736613 0.97 RAB9A (0.40) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22736446 0.97 RAB9A (0.41) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22736096 0.96 APP (0.40) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22736381 0.96 RAB9A (0.41) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22736519 0.95 RAB9A (0.43) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22177860 0.94 RAB9A (0.42) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22177567 0.93 RAB9A (0.41) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22178198 0.93 RAB9A (0.41) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL22177570 0.92 RAB9A (0.45) RAB9AMAPTKDM4ESMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020242161-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-12-03 — — WO disclosed
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