SCHEMBL22700535

SCHEMBL22700535

c1ccc(-c2ccc(-c3nc(-c4cccc5c4sc4cccc(-c6nc(-c7ccccc7)c7ccccc7n6)c45)nc4ccccc34)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ATM Q13315 1/20 0.48
NUDT1 P36639 3/20 0.40
ADORA2A P29274 4/20 0.40
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
LIMK1 P53667 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALOX5 P09917 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
RAD52 P43351 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
DHODH Q02127 1/20 0.35
SCD O00767 1/20 0.34
USP1 O94782 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
SCHEMBL22700554 1.00 MEN1 (0.48) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22700553 0.97 MEN1 (0.47) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22700368 0.96 MEN1 (0.54) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22113780 0.94 MEN1 (0.53) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22113846 0.91 MEN1 (0.48) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22913627 0.90 MEN1 (0.44) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL18314544 0.88 MEN1 (0.48) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL17232195 0.88 MEN1 (0.48) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL22913951 0.88 MEN1 (0.44) MEN1KMT2AATMNUDT1ADORA2A
SCHEMBL19501992 0.87 MEN1 (0.44) MEN1KMT2AATMNUDT1ADORA2A

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-2020235976-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed