SCHEMBL21390520

SCHEMBL21390520

C=Cc1ccc2c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3c3ccccc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.45
KMT2A Q03164 9/20 0.45
ALDH1A1 P00352 8/20 0.45
MAPT P10636 8/20 0.45
HPGD P15428 7/20 0.45
NTSR1 P30989 1/20 0.45
KDM4E B2RXH2 4/20 0.43
LMNA P02545 2/20 0.43
GLA P06280 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP2C19 P33261 1/20 0.38
ACHE P22303 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL21390337 0.92 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21390522 0.91 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21390345 0.90 DHODH (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21390521 0.88 ACHE (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21390580 0.87 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16641365 0.86 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL19172910 0.86 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21390341 0.86 MEN1 (0.35) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21390339 0.85 PTGS2 (0.39) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL19171607 0.84 MEN1 (0.56) 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
US-20190292309-A1 HIGH POLYMER, MIXTURE CONTAINING SAME, COMPOSITION, ORGANIC ELECTRONIC COMPONENT, AND MONOMER FOR POLYMERIZATION GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-09-26 US disclosed