SCHEMBL28230071

SCHEMBL28230071

Nc1ccc(Nc2ccc(Nc3ccc(Nc4ccc(N=C5C=CC(=Nc6ccc(N=C7C=CC(=Nc8ccccc8)C=C7)cc6)C=C5)cc4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.59
▸ ALDH1A1 P00352 6/20 0.59
▸ HTT P42858 4/20 0.59
▸ L3MBTL1 Q9Y468 4/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ ALOX12 P18054 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ PKM P14618 1/20 0.48
▸ TDP1 Q9NUW8 5/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ TSHR P16473 2/20 0.44
▸ ALOX15 P16050 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HPGD P15428 2/20 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
SCHEMBL9126691 1.00 MAPT (0.59) MAPTALDH1A1HTTL3MBTL1CYP3A4
SCHEMBL15489199 0.96 MAPT (0.64) MAPTALDH1A1HTTL3MBTL1CYP3A4
SCHEMBL19427098 0.96 MAPT (0.64) MAPTALDH1A1HTTL3MBTL1CYP3A4
SCHEMBL12747007 0.93 MAPT (0.50) MAPTALDH1A1HTTL3MBTL1CYP3A4
SCHEMBL13663471 0.91 ALDH1A1 (0.52) MAPTALDH1A1HTTL3MBTL1CYP3A4
SCHEMBL13663464 0.89 ALDH1A1 (0.55) MAPTALDH1A1HTTL3MBTL1CYP3A4
SCHEMBL13663469 0.89 ALDH1A1 (0.55) MAPTALDH1A1HTTL3MBTL1CYP3A4
SCHEMBL13663466 0.89 ALDH1A1 (0.55) MAPTALDH1A1HTTL3MBTL1CYP3A4
SCHEMBL13663468 0.89 ALDH1A1 (0.55) MAPTALDH1A1HTTL3MBTL1CYP3A4
SCHEMBL13663465 0.87 ALDH1A1 (0.57) MAPTALDH1A1HTTL3MBTL1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108479857-B Preparation method of ionic liquid modified polyaniline/titanium dioxide composite material 扬州工业职业技术学院 2021-04-27 — — CN disclosed
CN-108554459-B Polyaniline/titanium dioxide composite material and application thereof in environmental remediation 扬州工业职业技术学院 2020-07-28 — — CN disclosed
CN-108554459-A A kind of New Polyaniline/composite titania material and its application in environment remediation 扬州工业职业技术学院 2018-09-21 — — CN disclosed
CN-108479857-A A kind of preparation method of the polyaniline/titanium dioxide composite material of Ionic Liquid Modified 扬州工业职业技术学院 2018-09-04 — — CN disclosed
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