SCHEMBL17864149

SCHEMBL17864149

c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccc8ccccc8c7ccc6c54)c3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 5/20 0.40
KDM4E B2RXH2 4/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
ATM Q13315 1/20 0.37
NTSR1 P30989 1/20 0.35
GAA P10253 1/20 0.35
GLA P06280 1/20 0.35
HPRT1 P00492 1/20 0.34
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL17864152 0.96 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17864168 0.93 ALDH1A1 (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23763293 0.93 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17864147 0.93 KDM4E (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL12175655 0.90 KDM4E (0.45) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17864158 0.90 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22596482 0.89 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17864153 0.89 KDM4E (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL16726719 0.89 KDM4E (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL17809173 0.89 MEN1 (0.42) 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-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 WO disclosed