SCHEMBL21390640

SCHEMBL21390640

C=Cc1ccc2c3ccc(-c4cccc(-c5ccccc5-c5cc(-c6ccncc6)nc(-c6ccncc6)c5)c4)cc3c3ccccc3c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DHODH Q02127 1/20 0.34
CHEK1 O14757 3/20 0.34
PIK3CA P42336 1/20 0.34
SQOR Q9Y6N5 1/20 0.33
IMPDH2 P12268 1/20 0.33
PRKDC P78527 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
ALOX5 P09917 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL21390638 0.93 ALOX5 (0.34) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL21390348 0.89 DHODH (0.39) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL21390294 0.89 KDM4E (0.43) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL21390341 0.85 MEN1 (0.35) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL21390339 0.84 PTGS2 (0.39) KDM4EMAPTMEN1LMNAKMT2A
SCHEMBL24860160 0.84 DHODH (0.44) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL21390639 0.84 PRKDC (0.35) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL21390521 0.83 ACHE (0.37) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL21390345 0.82 DHODH (0.39) KDM4EALDH1A1MAPTHPGDMAPK1
SCHEMBL16641448 0.81 MEN1 (0.42) KDM4EALDH1A1MAPTHPGDMEN1

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