SCHEMBL20291346

SCHEMBL20291346

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc(-c6cccc7ccccc67)cc54)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MCL1 Q07820 1/20 0.39
▸ ACMSD Q8TDX5 1/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 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
SCHEMBL20290726 0.99 ALDH1A1 (0.43) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL26451283 0.91 CA12 (0.40) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL20291358 0.91 KDM4E (0.41) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL24154079 0.91 KDM4E (0.47) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL14748543 0.90 KDM4E (0.39) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL20291258 0.89 KDM4E (0.40) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL24123196 0.89 CA12 (0.43) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL24154615 0.89 KDM4E (0.41) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL24216914 0.88 ALDH1A1 (0.41) ALDH1A1MAPTHPGDKDM4EMAPK1
SCHEMBL20290947 0.88 KDM4E (0.39) ALDH1A1MAPTHPGDKDM4EMAPK1

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-2018110958-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2018-06-21 — — WO disclosed
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