SCHEMBL22700727

SCHEMBL22700727

c1ccc(-c2cc(-c3ccc4c(c3)sc3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPT P10636 6/20 0.48
HPGD P15428 6/20 0.48
KDM4E B2RXH2 4/20 0.48
LMNA P02545 2/20 0.48
GLA P06280 1/20 0.48
NTSR1 P30989 1/20 0.43
ADORA2A P29274 3/20 0.38
ADORA1 P30542 3/20 0.38
MAOB P27338 5/20 0.38
MAOA P21397 3/20 0.38
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP2C19 P33261 1/20 0.36
AURKA O14965 1/20 0.35
PDPK1 O15530 1/20 0.35
TGFBR1 P36897 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL22700628 0.99 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22329733 0.99 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22329886 0.97 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700729 0.97 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22329688 0.97 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700694 0.96 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22330063 0.96 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700617 0.96 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22329290 0.96 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700626 0.96 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD

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