SCHEMBL24637828

SCHEMBL24637828

CC(C)(C)n1cnc(C(F)(F)F)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM5B Q9UGL1 1/20 0.39
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ AR P10275 1/20 0.35
▸ ALPL P05186 2/20 0.33
▸ ALPI P09923 2/20 0.33
▸ LOXL2 Q9Y4K0 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CHKA P35790 1/20 0.33
▸ GRIA1 P42261 2/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ LOX P28300 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
SCHEMBL10205286 0.85 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ALMNA
SCHEMBL11782323 0.77 ALDH1A1 (0.42) ALDH1A1KDM5BMEN1KMT2APKM
SCHEMBL24659479 0.75 ALDH1A1 (0.42) ALDH1A1KDM5BMEN1KMT2ALMNA
SCHEMBL25153650 0.74 ALDH1A1 (0.40) ALDH1A1KDM5BPKMLMNAAR
SCHEMBL24659485 0.73 ALDH1A1 (0.44) ALDH1A1LMNA
SCHEMBL10589824 0.73 ALDH1A1 (0.42) ALDH1A1KDM5BMEN1KMT2APKM
SCHEMBL11783513 0.73 PTGS2 (0.40) ALDH1A1KDM5BMEN1KMT2APKM
SCHEMBL11784400 0.70 ALDH1A1 (0.39) ALDH1A1KDM5BPKMLMNAALPL
SCHEMBL11779175 0.69 PTGS2 (0.38) ALDH1A1KDM5BMEN1KMT2APKM
SCHEMBL2608960 0.69 POLB (0.41) ALDH1A1KDM5BMEN1KMT2APKM

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
WO-2022208370-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI INDUSTRIES LTD. (IN) 2022-10-06 — — WO disclosed
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