SCHEMBL28262323

SCHEMBL28262323

COc1ccc(-c2c(N)c3ccc4cccc5ccc(c2-c2ccc(N)cc2)c3c45)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NR4A1 P22736 1/20 0.37
▸ ENPP1 P22413 1/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36

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
SCHEMBL28391148 0.84 APP (0.48) APPMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28255462 0.81 LOXL2 (0.43) TDP1ALDH1A1CYP3A4SMN1; SMN2KDM4E
SCHEMBL6579959 0.80 ABCG2 (0.41) APPTDP1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL7755200 0.80 ALDH1A1 (0.42) TDP1ALDH1A1CYP3A4SMN1; SMN2KDM4E
SCHEMBL160600 0.79 ENPP1 (0.39) APPTDP1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2083970 0.78 ALDH1A1 (0.39) TDP1MAPK1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL15777410 0.76 ENPP1 (0.36) ALDH1A1SMN1; SMN2KDM4ENPC1NFKB1
SCHEMBL13145980 0.76 CA1 (0.44) APPALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL10708276 0.74 TDP1 (0.61) APPTDP1MAPK1ALDH1A1CYP3A4
SCHEMBL24561 0.74 TDP1 (0.67) APPTDP1MAPK1ALDH1A1CYP3A4

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-108929243-A A kind of diamine monomer and its preparation method and application containing asymmetric fluorophore structure 吉林大学 2018-12-04 — — CN disclosed
CN-108912003-A A kind of diacid monomer and its preparation method and application containing asymmetric fluorophore structure 吉林大学 2018-11-30 — — CN disclosed
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