SCHEMBL28391148

SCHEMBL28391148

COc1ccc(-c2c(N)c3ccc4cccc5ccc(c2-c2ccc([N+](=O)[O-])cc2)c3c45)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.48
▸ PSD A5PKW4 3/20 0.41
▸ NFE2L2 Q16236 1/20 0.40
▸ MAPT P10636 7/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAOB P27338 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39

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
SCHEMBL28262323 0.84 APP (0.44) APPMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL28262331 0.75 MAPK1 (0.44) APPMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8927714 0.74 APP (0.47) APPPSDNFE2L2MAPTSMN1; SMN2
SCHEMBL6579959 0.73 ABCG2 (0.41) APPMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7755200 0.73 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL160600 0.72 ENPP1 (0.39) APPMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL28396997 0.72 APP (0.44) APPNFE2L2MAPTSMN1; SMN2ALDH1A1
SCHEMBL2083970 0.71 ALDH1A1 (0.39) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL3974325 0.71 APP (0.74) APPMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2455303 0.71 APP (0.74) APPMAPTSMN1; SMN2ALDH1A1KDM4E

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
CN-108912003-B Diacid monomer containing asymmetric fluorophore structure and preparation method and application thereof 吉林大学 2020-03-31 — — CN disclosed
CN-108929243-B Diamine monomer containing asymmetric fluorophore structure and preparation method and application thereof 吉林大学 2020-03-31 — — CN disclosed
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