SCHEMBL29006282

SCHEMBL29006282

Cn1nccc1C(C(=O)NC(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KLK7 P49862 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL29006256 0.89 OXTR (0.41)
SCHEMBL29006260 0.86 CNR1 (0.39) LMNAKLK7SMN1; SMN2
SCHEMBL29006257 0.85 HDAC4 (0.46) HDAC4HDAC7HDAC5MAPK1POLB
SCHEMBL29006280 0.80 HDAC4 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC8
SCHEMBL29006259 0.80 NPSR1 (0.44) LMNAPOLBSMN1; SMN2
SCHEMBL29006265 0.78 HTT (0.38) TDP1POLBSMN1; SMN2
SCHEMBL29006264 0.78 TDP1 (0.40) LMNAMAPK1TDP1POLBSMN1; SMN2
SCHEMBL29006270 0.78 CNR2 (0.39) LMNAMAPK1MAPTP2RX7POLB
SCHEMBL29006269 0.75 OXTR (0.41)
SCHEMBL29006258 0.72 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2

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