SCHEMBL17033775

SCHEMBL17033775

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5ccc6c(cc7c8ccccc8c8ccccc8n76)c54)n3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
ATM Q13315 2/20 0.33
KDM4E B2RXH2 4/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
NTSR1 P30989 1/20 0.31
TLR9 Q9NR96 1/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
NPY5R Q15761 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
SCHEMBL17033444 0.97 KDM4E (0.33) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17033741 0.96 TSPO (0.34) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17033437 0.93 KDM4E (0.31) MEN1KMT2AMAPTATMKDM4E
SCHEMBL17033438 0.91 L3MBTL1 (0.37) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17033733 0.90 PDE10A (0.34) MEN1KMT2AMAPTATMKDM4E
SCHEMBL17033905 0.90 CYP1A1 (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17033449 0.90 KDM4E (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17033736 0.89 MAPT (0.34) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17033448 0.88 KDM4E (0.35) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17033441 0.87 KDM4E (0.34) MEN1KMT2AMAPTALDH1A1HPGD

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed