SCHEMBL25568540

SCHEMBL25568540

c1ccc2c(-c3ccc(Nc4ccc(C56CC7CC(C5)C(C7)C6)cc4)cc3)cccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ SCTR P47872 1/20 0.34
▸ PPARG P37231 4/20 0.33
▸ PPARA Q07869 4/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL23057396 0.94 EPHX2 (0.43) EPHX2NPC1HDAC8HDAC6LMNA
SCHEMBL27382424 0.82 EPHX2 (0.45) EPHX2NPC1LMNAMAPTALDH1A1
SCHEMBL23206891 0.81 HDAC8 (0.36) HDAC8HDAC6MAPTCA12CA1
SCHEMBL23206314 0.80 CA12 (0.36) HDAC8HDAC6MAPTCA12CA1
SCHEMBL23691175 0.79 ALDH1A1 (0.40) EPHX2NPC1HDAC8HDAC6LMNA
SCHEMBL19089995 0.78 CA12 (0.39) EPHX2NPC1HDAC8HDAC6LMNA
SCHEMBL25569696 0.78 HDAC8 (0.38) HDAC8HDAC6MAPTCA12CA1
SCHEMBL23057588 0.77 ALDH1A1 (0.54) EPHX2NPC1LMNAMAPTALDH1A1
SCHEMBL29405564 0.77 HDAC8 (0.54) HDAC8HDAC6CA12CA1CA2
SCHEMBL10136271 0.77 HDAC8 (0.54) HDAC8HDAC6CA12CA1CA2

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-2023096209-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-06-01 — — WO disclosed
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