SCHEMBL28303200

SCHEMBL28303200

c1ccc(-c2ccc(Nc3ccc(N(c4ccccc4)c4cc(N(c5ccccc5)c5ccc(Nc6ccc(-c7ccccc7)cc6)cc5)cc(N(c5ccccc5)c5ccc(Nc6ccc(-c7ccccc7)cc6)cc5)c4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ ALOX12 P18054 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ MAPT P10636 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MEN1 O00255 2/20 0.40

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
SCHEMBL10001584 0.94 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL12193266 0.94 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL19152327 0.94 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL13177396 0.94 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL2180914 0.94 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL16206576 0.92 ALDH1A1 (0.54) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL12557588 0.92 ALDH1A1 (0.54) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL2068419 0.92 ALDH1A1 (0.54) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL13148743 0.92 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12
SCHEMBL2754557 0.92 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD17B10TDP1ALOX12

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
CN-107001925-B Organic photoelectric device and display apparatus 三星SDI株式会社 2019-05-31 — — CN disclosed
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