SCHEMBL29006246

SCHEMBL29006246

Cc1ccccc1C(C(=O)NC(F)F)c1ccnn1C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSA P10619 15/20 0.38
HDAC4 P56524 1/20 0.35

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
SCHEMBL29006291 0.88 HDAC4 (0.44) CTSAHDAC4
SCHEMBL29006261 0.85 CNR2 (0.41) CTSA
SCHEMBL29006263 0.85 HTT (0.39) CTSA
SCHEMBL29006258 0.84 HDAC3 (0.42) HDAC4
SCHEMBL29006262 0.80 KEAP1 (0.37) HDAC4
SCHEMBL29006283 0.78 CTSB (0.39) CTSAHDAC4
SCHEMBL29006294 0.76 HDAC4 (0.50) HDAC4
SCHEMBL29006269 0.74 OXTR (0.41)
SCHEMBL29006287 0.74 CNR2 (0.40)
SCHEMBL29006266 0.73 KLRK1 (0.44)

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-116003323-B Fluorine-containing pyrazole phenylacetamide derivative and application thereof 西北农林科技大学 2023-12-08 CN disclosed
CN-116003323-A Fluorine-containing pyrazole phenylacetamide derivative and application thereof 西北农林科技大学 2023-04-25 CN disclosed