SCHEMBL25763772

SCHEMBL25763772

CC(C)c1ncc(-c2cccc(N(C)C)c2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 9/20 0.43
▸ NTRK1 P04629 1/20 0.40
▸ SYK P43405 1/20 0.39
▸ GRIN1 Q05586 2/20 0.38
▸ GRIN2B Q13224 2/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ KIT P10721 1/20 0.37
▸ CYP11B2 P19099 1/20 0.36
▸ SOS1 Q07889 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36

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
SCHEMBL25763766 0.83 CYP11B2 (0.52) FYNGRIN1GRIN2BNR1H2NR1H3
SCHEMBL25764075 0.82 AR (0.49) GRIN1GRIN2BNR1H2NR1H3CYP11B2
SCHEMBL25764079 0.82 ESR1 (0.39) NR1H2NR1H3CYP11B2
SCHEMBL25764072 0.81 MAP4K4 (0.40) NR1H2NR1H3CYP11B2ALDH1A1GAA
SCHEMBL25763768 0.80 PGR (0.53) FYNNTRK1SYKNR1H2NR1H3
SCHEMBL25763769 0.79 KCNH2 (0.48) GRIN1GRIN2BNR1H2NR1H3
SCHEMBL12303952 0.71 ALDH1A1 (0.45) CYP11B2SOS1ALDH1A1
SCHEMBL30602821 0.69 ALDH1A1 (0.58) FYNNTRK1ALDH1A1NOTUM
SCHEMBL12299837 0.69 L3MBTL1 (0.41) ALDH1A1GAA
SCHEMBL25764094 0.69 ALDH1A1 (0.53) GRIN1GRIN2BALDH1A1GAAATM

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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