SCHEMBL29006263

SCHEMBL29006263

COc1ccccc1C(C(=O)NC(F)F)c1ccnn1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CTSA P10619 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.35
MGAM O43451 1/20 0.35
F12 P00748 1/20 0.35
AMY1A P0DUB6 1/20 0.35
GAA P10253 1/20 0.35
MIF P14174 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
LPAR1 Q92633 1/20 0.35
GFER P55789 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
SCHEMBL29006246 0.85 CTSA (0.38) CTSA
SCHEMBL29006291 0.85 HDAC4 (0.44) CTSAGAA
SCHEMBL29006265 0.85 HTT (0.38) HTTL3MBTL1POLBNPSR1CTSA
SCHEMBL29006261 0.83 CNR2 (0.41) POLBCTSAMAPK1GAA
SCHEMBL29006258 0.82 HDAC3 (0.42) HTTPOLBNPSR1KMT2AGAA
SCHEMBL29006287 0.80 CNR2 (0.40) NPSR1ALDH1A1KMT2AGAA
SCHEMBL29006279 0.78 ALDH1A1 (0.43) ALDH1A1MAPK1
SCHEMBL29006262 0.75 KEAP1 (0.37) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL29006283 0.74 CTSB (0.39) POLBCTSAMEN1KMT2AMAPK1
SCHEMBL29006294 0.74 HDAC4 (0.50) POLBMEN1KMT2AMAPK1

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