SCHEMBL21390728

SCHEMBL21390728

C=CCc1cccc(-c2cccc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)c4)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
PTGS2 P35354 1/20 0.46
NTSR1 P30989 1/20 0.42
GLA P06280 1/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 1/20 0.39
GPR68 Q15743 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL21390604 0.91 PTGS2 (0.48) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21390602 0.89 PTGS2 (0.50) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21390635 0.82 KDM4E (0.47) ALDH1A1MAPTKDM4ELMNAPTGS2
SCHEMBL5629303 0.82 PTGS2 (0.60) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21390491 0.82 CYP19A1 (0.43) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL5393111 0.80 PTGS2 (0.57) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL29383868 0.80 PTGS2 (0.57) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL29477070 0.80 PTGS2 (0.57) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL9920580 0.80 MEN1 (0.68) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL21390285 0.79 PRKCI (0.47) MAPTPTGS2ADORA2AADORA1SMN1; SMN2

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