SCHEMBL21743378

SCHEMBL21743378

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Sc3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
NTSR1 P30989 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
MAPK1 P28482 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
WHR1 P49842 1/20 0.31
ATM Q13315 2/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL21743645 0.99 MEN1 (0.36) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL21743381 0.96 MEN1 (0.35) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL21743372 0.96 MEN1 (0.35) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL21743643 0.96 MEN1 (0.36) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL21743380 0.96 MEN1 (0.36) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL21743611 0.95 MEN1 (0.34) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL21743627 0.95 MEN1 (0.34) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL21743638 0.95 MEN1 (0.34) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL21743625 0.95 MEN1 (0.34) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL21743628 0.95 MEN1 (0.34) MEN1KMT2AMAPTHPGDALDH1A1

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-2020036313-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-20 WO disclosed