SCHEMBL16905752

SCHEMBL16905752

Cc1cccc2c3c4ccccc4ccc3n(-c3ccccc3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ CYP2A6 P11509 3/20 0.43
▸ CYP1A2 P05177 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ ALKBH5 Q6P6C2 1/20 0.39
▸ FTO Q9C0B1 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ATM Q13315 2/20 0.38
▸ TSHR P16473 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ NPC1 O15118 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
SCHEMBL13789874 0.85 L3MBTL1 (0.44) ALDH1A1CYP2A6CYP1A2HPGDHSD17B10
SCHEMBL12969634 0.84 L3MBTL1 (0.42) ALDH1A1CYP2A6CYP1A2HPGDHSD17B10
SCHEMBL17166724 0.84 ALKBH5 (0.47) ALDH1A1CYP2A6CYP1A2ALKBH5FTO
SCHEMBL22019082 0.82 CYP2A6 (0.43) ALDH1A1CYP2A6CYP1A2HPGDHSD17B10
SCHEMBL23775998 0.81 ATM (0.35) ALDH1A1CYP1A2HPGDHSD17B10L3MBTL1
SCHEMBL11914274 0.80 L3MBTL1 (0.52) ALDH1A1CYP2A6HPGDHSD17B10L3MBTL1
SCHEMBL19382997 0.80 L3MBTL1 (0.39) ALDH1A1CYP2A6CYP1A2HPGDHSD17B10
SCHEMBL16905881 0.80 CYP2A6 (0.47) ALDH1A1CYP2A6CYP1A2HPGDHSD17B10
SCHEMBL17989790 0.79 L3MBTL1 (0.50) ALDH1A1CYP2A6HPGDHSD17B10L3MBTL1
SCHEMBL17245476 0.78 ATM (0.46) ALDH1A1CYP1A2HPGDHSD17B10L3MBTL1

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-2015105315-A1 FUSED-RING COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 삼성에스디아이 주식회사 2015-07-16 — — WO disclosed
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