SCHEMBL25764094

SCHEMBL25764094

CC(C)c1ncc(-c2cccc(C(F)(F)F)c2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ GRIN2B Q13224 13/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PARP1 P09874 1/20 0.44
▸ SCN2A Q99250 1/20 0.43
▸ GRIN1 Q05586 11/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C2 P52895 1/20 0.42

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
SCHEMBL25764092 0.83 CYP11B2 (0.47) GRIN2B
SCHEMBL25771002 0.79 MAP4K4 (0.43) GRIN2BGRIN1HRH1
SCHEMBL25764706 0.78 PDGFRB (0.51) GRIN2BGRIN1AKR1C3AKR1C2
SCHEMBL2609337 0.77 ALDH1A1 (0.56) ALDH1A1GAAATMGRIN2BL3MBTL1
SCHEMBL12303237 0.76 KMT2A (0.44) ALDH1A1GAAL3MBTL1
SCHEMBL25764095 0.76 GABRG2 (0.51) —
SCHEMBL25763766 0.75 CYP11B2 (0.52) ALDH1A1GAAATMGRIN2BGRIN1
SCHEMBL14832192 0.74 ALDH1A1 (0.59) ALDH1A1GAAATMGRIN2BL3MBTL1
SCHEMBL18854065 0.74 ALDH1A1 (0.46) ALDH1A1GAAATML3MBTL1SCN2A
SCHEMBL25763796 0.73 PDGFRB (0.43) GRIN2B

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-2023116835-A1 MULTI-PROTEIN DEGRADATION AGENT HAVING IMIDE SKELETON 苏州开拓药业股份有限公司 2023-06-29 — — WO disclosed
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