SCHEMBL16453080

SCHEMBL16453080

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7sc(-c8ccccc8)nc7cc5n6-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)ccc43)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ GAA P10253 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ PKM P14618 4/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ GLA P06280 3/20 0.39
▸ NFKB1 P19838 6/20 0.38
▸ NFKB2 Q00653 6/20 0.38
▸ RELA Q04206 6/20 0.38
▸ LMNA P02545 2/20 0.38
▸ APP P05067 5/20 0.37
▸ NPC1 O15118 8/20 0.37
▸ RAB9A P51151 8/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ TNF P01375 1/20 0.36
▸ NOD1 Q9Y239 1/20 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
SCHEMBL16453031 0.96 KDM4E (0.36) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL16453779 0.96 KDM4E (0.40) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL16453024 0.91 KDM4E (0.34) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL16453012 0.90 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL16453853 0.89 APP (0.37) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL16453182 0.87 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL16453038 0.87 PTGER4 (0.33) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL16453094 0.86 PTGER4 (0.38) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL16453011 0.86 KDM4E (0.38) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL15431004 0.85 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1GAAMAPT

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-2015020399-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT LIGHT EMITTING DIODE COMPRISING SAME 주식회사 두산 (KR) 2015-02-12 — — WO disclosed
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