SCHEMBL29258438

SCHEMBL29258438

N#Cc1cc(F)c([N+](=O)[O-])c(OC2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 3/20 0.39
▸ CYP19A1 P11511 3/20 0.35
▸ SLC6A9 P48067 4/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GRIN2D O15399 2/20 0.33
▸ GRIN3B O60391 2/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2A Q12879 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ GRIN2C Q14957 2/20 0.33
▸ GRIN3A Q8TCU5 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ ACACB O00763 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ GPR6 P46095 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
SCHEMBL1675905 0.81 VCAM1 (0.44) VCAM1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL25902175 0.78 CYP19A1 (0.37) CYP19A1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL309612 0.78 VCAM1 (0.55) VCAM1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL19174949 0.72 MEN1 (0.46) VCAM1MEN1KMT2AL3MBTL1ALK
SCHEMBL31291197 0.72 MAPT (0.44) VCAM1MEN1KMT2AL3MBTL1ALK
SCHEMBL26834411 0.72 CYP19A1 (0.33) CYP19A1GPR119
SCHEMBL31160144 0.72 PDE5A (0.40) CYP19A1L3MBTL1
SCHEMBL31652212 0.72 SLC6A2 (0.41) CYP19A1L3MBTL1
SCHEMBL19175210 0.71 VCAM1 (0.53) VCAM1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL14247077 0.71 VCAM1 (0.51) VCAM1MEN1KMT2AGRIN2DGRIN3B

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-118344349-A 4-Alkoxybenzimidazole-6-carboxylic acid derivatives as GLP-1 receptor agonists 中国科学院上海药物研究所 2024-07-16 — — CN disclosed
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