SCHEMBL22700440

SCHEMBL22700440

C1=CC(c2ccc(-c3cc(-c4ccccc4)nc(-c4cccc5sc6c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cccc6c45)n3)cc2)=CCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 5/20 0.37
HPGD P15428 5/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
NTSR1 P30989 1/20 0.34
ALOX5 P09917 1/20 0.32
LIMK1 P53667 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL22700203 0.96 MEN1 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700195 0.92 MEN1 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700204 0.91 MEN1 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700425 0.88 MEN1 (0.32) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700199 0.88 MEN1 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700718 0.87 MEN1 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700531 0.87 LIMK1 (0.31) ALOX5LIMK1
SCHEMBL22329199 0.86 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22700206 0.86 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22329276 0.86 MEN1 (0.45) 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