SCHEMBL27804767

SCHEMBL27804767

CN1CCN(c2cnc3cc(C(F)(F)F)cc([N+](=O)[O-])c3c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 18/20 0.61
▸ KCNH2 Q12809 5/20 0.60
▸ SIRT6 Q8N6T7 1/20 0.51

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
SCHEMBL28790389 0.80 MET (0.66) METKCNH2
SCHEMBL27804765 0.80 MET (0.66) METKCNH2
SCHEMBL15802804 0.76 SMN1; SMN2 (0.63) SIRT6
SCHEMBL29394339 0.76 MET (1.00) METKCNH2
SCHEMBL31013249 0.76 CXCR3 (0.52) METSIRT6
SCHEMBL27825388 0.74 ALDH1A1 (0.48) —
SCHEMBL28049809 0.72 ALDH1A1 (0.43) METKCNH2
SCHEMBL2256754 0.72 SIRT6 (0.52) METSIRT6
SCHEMBL2972930 0.71 SIRT6 (0.55) METKCNH2SIRT6
SCHEMBL1265183 0.70 MAPT (0.68) SIRT6

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-101993416-B Quinoline compound and preparation method thereof, medicament combination containing compound and application of compound SHANGHAI INST MATERIA MEDICA 2013-09-11 — — CN disclosed
CN-101993416-A Quinoline compound and preparation method thereof, medicament combination containing compound and application of compound SHANGHAI INST MATERIA MEDICA 2011-03-30 — — CN disclosed
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