SCHEMBL13671001

SCHEMBL13671001

C1=Cc2cc(N(c3ccc(/C=C/c4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4)cc3)c3ccc4c(c3)C=CCC4)ccc2CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.39
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ APP P05067 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ NQO2 P16083 2/20 0.31
▸ TXNRD1 Q16881 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ BCHE P06276 2/20 0.30
▸ ACHE P22303 2/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30

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
SCHEMBL13356901 1.00 RELA (0.39) RELAMAPTALDH1A1SMN1; SMN2GLA
SCHEMBL13333669 0.98 RELA (0.40) RELAMAPTALDH1A1SMN1; SMN2GLA
SCHEMBL13511629 0.95 RELA (0.35) RELAMAPTALDH1A1SMN1; SMN2GLA
SCHEMBL13700696 0.90 RELA (0.39) RELAMAPTALDH1A1SMN1; SMN2GLA
SCHEMBL14142830 0.90 RELA (0.39) RELAMAPTALDH1A1SMN1; SMN2GLA
SCHEMBL13365580 0.90 ALDH1A1 (0.32) MAPTALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL13432392 0.89 RELA (0.32) RELA
SCHEMBL12834667 0.89 RELA (0.32) RELA
SCHEMBL19444009 0.88 ESR1 (0.32) —
SCHEMBL24054607 0.86 PTGES (0.32) —

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
EP-2107095-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-10-07 — — EP disclosed
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