SCHEMBL31319666

SCHEMBL31319666

CC(C)(C)OC(=O)Nc1cnn(CCOC(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ NCOR2 Q9Y618 1/20 0.48
▸ SCD O00767 1/20 0.47
▸ AR P10275 4/20 0.45
▸ APLNR P35414 1/20 0.42
▸ JAK3 P52333 3/20 0.39
▸ NAMPT P43490 2/20 0.37
▸ RORC P51449 2/20 0.36
▸ CYP17A1 P05093 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ RET P07949 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ MAP3K5 Q99683 1/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ MAPK14 Q16539 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
SCHEMBL27797896 0.85 HDAC3 (0.52) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31319639 0.84 HDAC3 (0.49) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31644307 0.83 HDAC3 (0.52) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31319701 0.82 AR (0.48) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31319590 0.81 HDAC3 (0.51) HDAC3HDAC8NCOR2SCDAR
SCHEMBL28321163 0.80 HDAC3 (0.52) HDAC3HDAC8NCOR2SCDAR
SCHEMBL22727981 0.80 HDAC3 (0.52) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31319596 0.80 HDAC3 (0.49) HDAC3HDAC8NCOR2SCDAR
SCHEMBL28375889 0.79 HDAC8 (0.53) HDAC3HDAC8NCOR2SCDAR
SCHEMBL31319588 0.79 AR (0.56) HDAC3HDAC8NCOR2SCDAR

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-2025038863-A1 INDOLE AND PYRROLOYPYRIDINE DERIVATIVES AS GPR17 MODULATORS BIOGEN MA INC. (US) 2025-02-20 — — WO disclosed
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