SCHEMBL28385255

SCHEMBL28385255

O=C(O)c1ccc2c(c1)Nc1cc(C(=O)O)ccc1C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.53
TDP2 O95551 2/20 0.53
ALDH1A1 P00352 3/20 0.50
ALOX5 P09917 1/20 0.49
HTT P42858 1/20 0.47
KDM4E B2RXH2 5/20 0.46
MAPT P10636 5/20 0.46
SMYD3 Q9H7B4 1/20 0.44
POLB P06746 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
BLM P54132 1/20 0.44
GRM1 Q13255 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
CD69 Q07108 1/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
ENPP2 Q13822 1/20 0.43

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
SCHEMBL28386595 0.93 SRD5A2 (0.51) SRD5A2TDP2ALDH1A1ALOX5HTT
SCHEMBL398818 0.87 TDP2 (0.66) SRD5A2TDP2ALDH1A1HTTSMYD3
SCHEMBL29713338 0.87 TDP2 (0.66) SRD5A2TDP2ALDH1A1HTTSMYD3
SCHEMBL28380734 0.84 KDM4E (0.54) SRD5A2TDP2ALDH1A1ALOX5HTT
SCHEMBL28387896 0.82 CRBN (0.42) SRD5A2TDP2ALDH1A1MAPTSMYD3
SCHEMBL5058746 0.81 SRD5A2 (0.63) SRD5A2TDP2ALDH1A1ALOX5HTT
SCHEMBL4801160 0.80 MAPT (0.56) SRD5A2TDP2ALDH1A1ALOX5KDM4E
SCHEMBL6901141 0.79 SRD5A2 (0.66) SRD5A2TDP2ALDH1A1KDM4EMAPT
SCHEMBL1144991 0.78 SMYD3 (0.59) SRD5A2TDP2ALDH1A1HTTKDM4E
SCHEMBL31490089 0.78 BRD4 (0.54) SRD5A2TDP2ALDH1A1HTTPOLB

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
CN-111040157-A High-barrier polyimide containing 9,10-dihydroacridine structure and preparation method and application thereof 湖南工业大学 2020-04-21 CN disclosed