SCHEMBL16453082

SCHEMBL16453082

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(-c6cccc7c8ccccc8n(-c8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)c8)c67)cc5c5cc6sc(-c7ccccc7)nc6cc54)c3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.34
▸ NFKB1 P19838 5/20 0.34
▸ NFKB2 Q00653 5/20 0.34
▸ RELA Q04206 5/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ POLB P06746 4/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ GAA P10253 5/20 0.33
▸ MAPT P10636 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ GLA P06280 2/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL16453097 0.99 PTGER4 (0.35) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL16453040 0.95 PTGER4 (0.35) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL16453178 0.94 KDM4E (0.35) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL16453098 0.93 PTGER4 (0.35) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL16453072 0.93 KDM4E (0.38) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL15431030 0.91 KDM4E (0.41) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL16453091 0.90 KDM4E (0.36) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL16453075 0.89 KDM4E (0.33) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL16453096 0.89 KDM4E (0.33) KDM4ENFKB1NFKB2RELASMN1; SMN2
SCHEMBL16453127 0.87 KDM4E (0.33) 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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