SCHEMBL22989149

SCHEMBL22989149

c1ccc(-c2nc(-c3ccc(-n4c5ccc6cccc7oc8cccc9ccc4c(c98)c5c67)c4ccccc34)nc3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ATM Q13315 2/20 0.38
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 3/20 0.37
LMNA P02545 1/20 0.37
NUDT1 P36639 3/20 0.34
ADORA2A P29274 1/20 0.34
MAPT P10636 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
WHR1 P49842 1/20 0.34
RAD52 P43351 1/20 0.33
GAA P10253 1/20 0.32
MAPK1 P28482 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL22989157 0.98 MEN1 (0.39) MEN1KMT2AATMALDH1A1L3MBTL1
SCHEMBL22989151 0.94 MEN1 (0.33) MEN1KMT2AATMALDH1A1L3MBTL1
SCHEMBL22988985 0.92 ALDH1A1 (0.34) MEN1KMT2AATMALDH1A1L3MBTL1
SCHEMBL22989150 0.91 ALDH1A1 (0.35) MEN1KMT2AATMALDH1A1L3MBTL1
SCHEMBL22989155 0.90 MEN1 (0.32) MEN1KMT2AATM
SCHEMBL22989034 0.90 ALDH1A1 (0.34) MEN1KMT2AATMALDH1A1KDM4E
SCHEMBL22989153 0.90 CYP1A2 (0.30) CYP1A2
SCHEMBL22989238 0.87 TSHR (0.38) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL18876886 0.87 MEN1 (0.43) MEN1KMT2AATMALDH1A1L3MBTL1
SCHEMBL22989122 0.86 MEN1 (0.38) MEN1KMT2AATMALDH1A1L3MBTL1

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-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed