SCHEMBL31319588

SCHEMBL31319588

CC(F)(F)Cn1cc(NC(=O)OC(C)(C)C)cn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.56
▸ HDAC3 O15379 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ NCOR2 Q9Y618 1/20 0.53
▸ SCD O00767 3/20 0.48
▸ CYP17A1 P05093 2/20 0.40
▸ NAMPT P43490 1/20 0.38
▸ SCD5 Q86SK9 2/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ MAPK14 Q16539 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
SCHEMBL31319580 0.92 AR (0.56) ARHDAC3HDAC8NCOR2SCD
SCHEMBL31319590 0.84 HDAC3 (0.51) ARHDAC3HDAC8NCOR2SCD
SCHEMBL28988125 0.83 HDAC3 (0.52) ARHDAC3HDAC8NCOR2SCD
SCHEMBL31319701 0.80 AR (0.48) ARHDAC3HDAC8NCOR2SCD
SCHEMBL22727981 0.80 HDAC3 (0.52) ARHDAC3HDAC8NCOR2SCD
SCHEMBL28321163 0.80 HDAC3 (0.52) ARHDAC3HDAC8NCOR2SCD
SCHEMBL27797896 0.80 HDAC3 (0.52) ARHDAC3HDAC8NCOR2SCD
SCHEMBL31644307 0.80 HDAC3 (0.52) ARHDAC3HDAC8NCOR2SCD
SCHEMBL31319639 0.80 HDAC3 (0.49) ARHDAC3HDAC8NCOR2SCD
SCHEMBL31319596 0.80 HDAC3 (0.49) ARHDAC3HDAC8NCOR2SCD

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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