SCHEMBL20180406

SCHEMBL20180406

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-n6ccc7ccc8ccccc8c76)c5)c4)c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
ABCG2 Q9UNQ0 3/20 0.35
TET2 Q6N021 1/20 0.34
TET1 Q8NFU7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL15801761 0.86 RXFP1 (0.31)
SCHEMBL15802377 0.83 MEN1 (0.31)
SCHEMBL20180254 0.83 MAPT (0.38) MAPTSMN1; SMN2NPC1LMNARECQL
SCHEMBL15801738 0.83 RXFP1 (0.31) KDM4EATML3MBTL1
SCHEMBL15802443 0.81 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL20180534 0.81 BIRC5 (0.44) TET2TET1L3MBTL1
SCHEMBL15802405 0.81 MEN1 (0.32)
SCHEMBL15683871 0.80 MEN1 (0.35) MAPTABCG2TET2TET1KDM4E
SCHEMBL15683896 0.80 MEN1 (0.35) MAPTABCG2TET2TET1KDM4E
SCHEMBL15801736 0.80 KDM4E (0.35) KDM4EATML3MBTL1

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-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed