SCHEMBL21234651

SCHEMBL21234651

c1ccc(-c2ccc(Nc3cc(Nc4ccc(-c5ccccc5)cc4)cc(N(c4ccccc4)c4ccccc4)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ AR P10275 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ ALOX12 P18054 3/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ CYP3A4 P08684 5/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36

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
SCHEMBL21234541 0.95 ALDH1A1 (0.47) ALDH1A1MAPTMEN1ARKMT2A
SCHEMBL21234501 0.93 ALDH1A1 (0.48) ALDH1A1MAPTMEN1ARKMT2A
SCHEMBL19738514 0.91 ALDH1A1 (0.39) ALDH1A1MAPTMEN1ARKMT2A
SCHEMBL28303200 0.91 ALDH1A1 (0.44) ALDH1A1MAPTMEN1ARKMT2A
SCHEMBL13177396 0.88 ALDH1A1 (0.50) ALDH1A1MAPTMEN1ARKMT2A
SCHEMBL19152327 0.88 ALDH1A1 (0.50) ALDH1A1MAPTMEN1ARKMT2A
SCHEMBL10001584 0.88 ALDH1A1 (0.50) ALDH1A1MAPTMEN1ARKMT2A
SCHEMBL2180914 0.88 ALDH1A1 (0.50) ALDH1A1MAPTMEN1ARKMT2A
SCHEMBL12193266 0.88 ALDH1A1 (0.50) ALDH1A1MAPTMEN1ARKMT2A
SCHEMBL29895698 0.88 MAPT (0.56) ALDH1A1MAPTMEN1ARKMT2A

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-2019151697-A1 COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE USING SAME 덕산네오룩스 주식회사 2019-08-08 — — WO disclosed
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