SCHEMBL28893953

SCHEMBL28893953

N=[N+]([O-])c1ccc([N+](=N)[O-])cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ ACHE P22303 1/20 0.35
▸ APP P05067 1/20 0.35
▸ TSHR P16473 3/20 0.33
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ CES1 P23141 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.31
▸ LOXL2 Q9Y4K0 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31

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
SCHEMBL6242435 0.85 ESR1 (0.45) ALDH1A1HSD17B10ACHEAPPCA1
SCHEMBL11767515 0.85 CYP1A2 (0.45) ALDH1A1HSD17B10LMNATDP1MAPT
SCHEMBL28548790 0.79 TSHR (0.47) ALDH1A1TSHRCA1CA2CA12
SCHEMBL11814224 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10APP
SCHEMBL8585978 0.79 MMP3 (0.43) ALDH1A1TSHRCA1CA2CA12
SCHEMBL11703066 0.71 TSHR (0.40) TSHRMAPT
SCHEMBL28198 0.62 CA1 (0.67) ALDH1A1HSD17B10ACHEAPPCA1
SCHEMBL22567 0.61 ALDH1A1 (0.72) ALDH1A1HSD17B10ACHEAPPTSHR
SCHEMBL305514 0.57 — —
SCHEMBL28412085 0.52 — —

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-115209863-A Cosmetic composition for forming film with improved elasticity and extensibility 科思创德国股份有限公司 2022-10-18 — — CN disclosed
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