SCHEMBL16453012

SCHEMBL16453012

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7sc(-c8ccccc8)nc7cc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.41
▸ NFKB1 P19838 4/20 0.41
▸ NFKB2 Q00653 4/20 0.41
▸ RELA Q04206 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 8/20 0.40
▸ GAA P10253 7/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ GLA P06280 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ PKM P14618 2/20 0.40
▸ APP P05067 5/20 0.38
▸ RAB9A P51151 8/20 0.36
▸ NPC1 O15118 7/20 0.36
▸ POLB P06746 3/20 0.36
▸ GFER P55789 2/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL16453094 0.96 PTGER4 (0.38) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL15431004 0.95 KDM4E (0.44) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL16453020 0.92 KDM4E (0.40) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL16453023 0.91 KDM4E (0.39) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL15430982 0.91 KDM4E (0.41) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL16453091 0.91 KDM4E (0.36) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL16453080 0.90 KDM4E (0.39) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL16453072 0.89 KDM4E (0.38) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL14716932 0.89 APP (0.47) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL17282435 0.89 KDM4E (0.42) KDM4ENFKB1NFKB2RELASMN1; SMN2

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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