SCHEMBL30788166

SCHEMBL30788166

N#CC(=Cc1ccc(O)c(O)c1)C(=O)N1CCNCC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.82
KMT2A Q03164 5/20 0.79
ALDH1A1 P00352 5/20 0.79
KDM4E B2RXH2 4/20 0.79
MEN1 O00255 4/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
GAA P10253 1/20 0.79
ERBB2 P04626 5/20 0.67
PKM P14618 1/20 0.62
MAOB P27338 1/20 0.57
TP53 P04637 2/20 0.57
CYP1A2 P05177 2/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
LCK P06239 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
PSMD14 O00487 1/20 0.57
RGS12 O14924 1/20 0.54

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
SCHEMBL28557953 1.00 EGFR (0.82) EGFRKMT2AALDH1A1KDM4EMEN1
SCHEMBL14411461 0.91 EGFR (1.00) EGFRKMT2AALDH1A1KDM4EMEN1
SCHEMBL18292294 0.88 KMT2A (1.00) EGFRKMT2AALDH1A1KDM4EMEN1
SCHEMBL28553008 0.87 EGFR (0.62) EGFRKMT2AALDH1A1KDM4EMEN1
SCHEMBL4375310 0.87 KMT2A (0.97) EGFRKMT2AALDH1A1KDM4EMEN1
SCHEMBL4375313 0.87 KMT2A (0.97) EGFRKMT2AALDH1A1KDM4EMEN1
SCHEMBL4375314 0.87 KMT2A (0.97) EGFRKMT2AALDH1A1KDM4EMEN1
SCHEMBL28552139 0.85 ALDH1A1 (0.77) EGFRKMT2AALDH1A1KDM4EMEN1
SCHEMBL28557984 0.79 EGFR (0.76) EGFRKMT2AALDH1A1KDM4EMEN1
SCHEMBL13060220 0.75 EGFR (0.77) EGFRKMT2AALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114656372-B P-phenylenediamine bridging compound and application thereof in preparation of medicines for treating sugar metabolism disorder diseases 广州药本君安医药科技股份有限公司 2024-06-18 CN disclosed
CN-114573476-B Linear head-tail diamine bridging compound and application thereof in preparation of medicines for treating sugar metabolic disorder diseases 广州药本君安医药科技股份有限公司 2024-06-11 CN disclosed
CN-114656371-B 1, 4-cyclohexanediamine bridged compounds and their use in the treatment of disorders of glucose metabolism 广州药本君安医药科技股份有限公司 2024-03-12 CN disclosed