SCHEMBL28995768

SCHEMBL28995768

O=[N+]([O-])c1c(NC2CC2)cc(F)c(I)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.41
▸ GAA P10253 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ HCAR3 P49019 3/20 0.40
▸ MAPK1 P28482 2/20 0.37
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL28995655 0.77 MAPT (0.44) MAPTGAAGLAHCAR3MAPK1
SCHEMBL24266297 0.75 MAPT (0.42) MAPTGAAGLAHCAR3MAPK1
SCHEMBL30263678 0.75 HCAR3 (0.38) MAPTGAAHCAR3MAPK1LMNA
SCHEMBL28995708 0.75 MAPT (0.51) MAPTGAAGLAHCAR3MAPK1
SCHEMBL17896593 0.73 MAPT (0.56) MAPTGAAGLAHCAR3MAPK1
SCHEMBL29525723 0.73 MAPT (0.56) MAPTGAAGLAHCAR3MAPK1
SCHEMBL24463187 0.73 ROCK2 (0.41) MAPTGAAGLAROCK2
SCHEMBL28737547 0.72 MAPT (0.55) MAPTGAAGLAHCAR3MAPK1
SCHEMBL34472545 0.72 HCAR3 (0.40) MAPTGAAGLAHCAR3MAPK1
SCHEMBL9847865 0.71 MAPT (0.41) MAPTGAAGLAHCAR3MAPK1

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-116057045-A Fibroblast growth factor receptor kinase inhibitors 金耐特生物制药公司 2023-05-02 — — CN disclosed
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