SCHEMBL21390522

SCHEMBL21390522

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 2/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NTSR1 P30989 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.35
IDH1 O75874 1/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
POLB P06746 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 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
SCHEMBL21390580 0.96 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21390343 0.93 PTGS2 (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21390520 0.91 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21390347 0.90 MAPT (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21390340 0.87 MEN1 (0.33) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL21390337 0.86 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16302999 0.85 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17231550 0.85 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL19172234 0.85 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL17231549 0.83 MEN1 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3547384-A1 HIGH POLYMER, MIXTURE CONTAINING SAME, COMPOSITION, ORGANIC ELECTRONIC COMPONENT, AND MONOMER FOR POLYMERIZATION Guangzhou Chinaray Optoelectronic Materials Ltd. (CN) 2019-10-02 EP disclosed
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