SCHEMBL28995655

SCHEMBL28995655

O=[N+]([O-])c1c(F)cc(F)cc1NC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.44
▸ GAA P10253 3/20 0.44
▸ GLA P06280 1/20 0.44
▸ HCAR3 P49019 3/20 0.42
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ ATM Q13315 2/20 0.37
▸ ROCK2 O75116 1/20 0.36

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
SCHEMBL4747092 0.90 MAPT (0.41) MAPTGAAGLAHCAR3MAPK1
SCHEMBL24266297 0.84 MAPT (0.42) MAPTGAAGLAHCAR3MAPK1
SCHEMBL34472545 0.84 HCAR3 (0.40) MAPTGAAGLAHCAR3MAPK1
SCHEMBL18202585 0.79 HCAR3 (0.43) MAPTGAAGLAHCAR3MAPK1
SCHEMBL14042956 0.78 ALDH1A1 (0.50) MAPTMAPK1LMNAALDH1A1L3MBTL1
SCHEMBL26666493 0.77 MEN1 (0.47) MAPTGAAGLAHCAR3MAPK1
SCHEMBL28995768 0.77 MAPT (0.41) MAPTGAAGLAHCAR3MAPK1
SCHEMBL2279261 0.76 CHRM2 (0.37) MAPTMAPK1LMNAALDH1A1CRHBP
SCHEMBL2279256 0.76 CHRM2 (0.37) MAPTMAPK1LMNAALDH1A1CRHBP
SCHEMBL103325 0.76 MAPT (0.43) MAPTHCAR3MAPK1LMNAALDH1A1

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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