SCHEMBL16407283

SCHEMBL16407283

c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5ccccc45)cc(-c4ccc5c6c(cccc46)-c4ccccc4-5)c3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.48
▸ HPGD P15428 6/20 0.48
▸ MAPT P10636 6/20 0.48
▸ MAPK1 P28482 4/20 0.48
▸ HSD17B10 Q99714 4/20 0.48
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ TSHR P16473 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ ATM Q13315 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CASP1 P29466 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ TNF P01375 1/20 0.41
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39

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
SCHEMBL25823526 0.95 ALDH1A1 (0.44) ALDH1A1HPGDMAPTMAPK1HSD17B10
SCHEMBL18878321 0.92 ALDH1A1 (0.42) ALDH1A1HPGDMAPTMAPK1HSD17B10
SCHEMBL18878327 0.92 ALDH1A1 (0.42) ALDH1A1HPGDMAPTMAPK1HSD17B10
SCHEMBL16407281 0.92 ALDH1A1 (0.42) ALDH1A1HPGDMAPTMAPK1HSD17B10
SCHEMBL18327642 0.91 L3MBTL1 (0.41) ALDH1A1HPGDMAPTMAPK1HSD17B10
SCHEMBL19009458 0.91 MAPT (0.56) ALDH1A1HPGDMAPTMAPK1HSD17B10
SCHEMBL19271444 0.89 ALDH1A1 (0.42) ALDH1A1HPGDMAPTMAPK1HSD17B10
SCHEMBL16407279 0.89 PRKCZ (0.47) ALDH1A1HPGDMAPTMAPK1HSD17B10
SCHEMBL23546686 0.89 ALDH1A1 (0.44) ALDH1A1HPGDMAPTMAPK1HSD17B10
SCHEMBL16407371 0.88 NR1I3 (0.40) ALDH1A1HPGDMAPTMAPK1HSD17B10

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-2015008866-A1 TRIAZINE COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING SAME 東ソー株式会社 (JP) 2015-01-22 — — WO disclosed
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