SCHEMBL28182708

SCHEMBL28182708

O=C(O)c1nccn1C(F)F

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 9/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL1431164 0.80 SMN1; SMN2 (0.40) SMN1; SMN2
SCHEMBL28416467 0.77 FPR2 (0.43) SMN1; SMN2
SCHEMBL28283770 0.74 SMN1; SMN2 (0.40) SMN1; SMN2
SCHEMBL11335494 0.74 CYP19A1 (0.40) —
SCHEMBL28706183 0.73 LMNA (0.44) —
SCHEMBL28705125 0.72 ALDH1A1 (0.51) —
SCHEMBL27510365 0.70 — —
SCHEMBL28415000 0.70 FPR2 (0.48) SMN1; SMN2RAB9A
SCHEMBL28285367 0.70 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL29224442 0.69 SMN1; SMN2 (0.39) SMN1; SMN2RAB9A

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-107250128-A Cyclic amine derivatives and its medical usage 东丽株式会社 2017-10-13 — — CN disclosed
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