SCHEMBL28756727

SCHEMBL28756727

NC(=O)c1ccc(OC(=O)C(F)(F)F)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 1/20 0.31
▸ KIF11 P52732 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
SCHEMBL3635860 0.70 KMT2A (0.33) —
SCHEMBL3576164 0.70 MAP2K1 (0.46) MAP2K1
SCHEMBL16828396 0.68 PARP1 (0.36) MAP2K1
SCHEMBL28525247 0.66 CYP2D6 (0.34) —
SCHEMBL27631378 0.66 PARP10 (0.55) —
SCHEMBL28317948 0.64 HCAR2 (0.38) —
SCHEMBL27361577 0.63 CTNNB1 (0.51) —
SCHEMBL3641757 0.62 KMT2A (0.34) —
SCHEMBL27499828 0.62 — —
SCHEMBL5473633 0.61 HAO1 (0.35) —

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-114585609-A 2H-indazole derivatives and their use in the treatment of diseases 比奥根MA公司 2022-06-03 — — CN disclosed
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