SCHEMBL28418909

SCHEMBL28418909

COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(c3cccc4cc(OC)ccc34)C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 6/20 0.64
▸ ERBB2 P04626 3/20 0.64
▸ ERBB3 P21860 1/20 0.64
▸ KDR P35968 1/20 0.64
▸ PTK2 Q05397 1/20 0.64
▸ MMP2 P08253 5/20 0.63
▸ MMP9 P14780 5/20 0.63
▸ MEN1 O00255 1/20 0.55
▸ HSP90AA1 P07900 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TLR9 Q9NR96 1/20 0.55
▸ APC P25054 1/20 0.55
▸ CA1 P00915 5/20 0.54
▸ CA2 P00918 5/20 0.54
▸ PKM P14618 1/20 0.52
▸ ACHE P22303 2/20 0.50

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
SCHEMBL28417001 0.95 EGFR (0.63) EGFRERBB2ERBB3KDRPTK2
SCHEMBL10657175 0.78 EGFR (0.72) EGFRERBB2MEN1KMT2ATLR9
SCHEMBL28414052 0.77 CA12 (0.65) EGFRERBB2ERBB3KDRPTK2
SCHEMBL28418911 0.74 MEN1 (0.42) MEN1KMT2A
SCHEMBL27837702 0.73 MEN1 (0.64) EGFRERBB2MMP2MMP9MEN1
SCHEMBL28409452 0.72 CA12 (0.64) EGFRERBB2ERBB3KDRPTK2
SCHEMBL5330451 0.71 MEN1 (1.00) EGFRERBB2MMP2MMP9MEN1
SCHEMBL28417002 0.70 ABCG2 (0.39) MEN1KMT2A
SCHEMBL31429969 0.68 CA1 (0.79) EGFRMEN1HSP90AA1KMT2ATLR9
SCHEMBL15301347 0.68 MEN1 (0.82) EGFRERBB2ERBB3KDRPTK2

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-107820941-B Antioxidant light-converting agricultural plastic film and preparation method thereof 盐城保荣机械有限公司 2020-05-15 — — CN claimed
CN-107820941-B Antioxidant light-converting agricultural plastic film and preparation method thereof 盐城保荣机械有限公司 2020-05-15 — — CN disclosed
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