SCHEMBL28464994

SCHEMBL28464994

Nc1ccc(-c2ccc(Nc3ccccc3-c3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ ALOX15 P16050 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ APP P05067 1/20 0.49
▸ SNCA P37840 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MET P08581 2/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GSTP1 P09211 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX12 P18054 1/20 0.42

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
SCHEMBL29830533 0.91 ALDH1A1 (0.47) HSD17B10MAPTALOX15HPGDKDM4E
SCHEMBL24911621 0.91 ALDH1A1 (0.47) HSD17B10MAPTALOX15HPGDKDM4E
SCHEMBL4579836 0.91 ALDH1A1 (0.50) HSD17B10MAPTALOX15HPGDKDM4E
SCHEMBL24553505 0.89 ALDH1A1 (0.50) HSD17B10MAPTALOX15HPGDKDM4E
SCHEMBL29893694 0.85 ALDH1A1 (0.53) HSD17B10MAPTHPGDALDH1A1CYP3A4
SCHEMBL23142162 0.85 ALDH1A1 (0.53) HSD17B10MAPTALOX15HPGDKDM4E
SCHEMBL29104474 0.85 ALDH1A1 (0.53) HSD17B10MAPTHPGDALDH1A1CYP3A4
SCHEMBL24949950 0.84 ALDH1A1 (0.49) HSD17B10MAPTALOX15HPGDTP53
SCHEMBL31094563 0.84 ALDH1A1 (0.49) HSD17B10MAPTALOX15HPGDTP53
SCHEMBL24634395 0.84 ALDH1A1 (0.49) HSD17B10MAPTALOX15HPGDTP53

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-111670506-B Organic electroluminescent element 保土谷化学工业株式会社 2023-06-09 — — CN disclosed
CN-111670506-A Organic electroluminescent element 保土谷化学工业株式会社 2020-09-15 — — CN disclosed
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