SCHEMBL29078733

SCHEMBL29078733

CC(C)(C)OC(=O)Nc1cnc(N(S)C(N)=O)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.44
RORC P51449 6/20 0.36
MAP4K4 O95819 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPKAPK2 P49137 3/20 0.34
SYK P43405 1/20 0.34
NAMPT P43490 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL30398203 0.77 AR (0.48) ARRORCMAP4K4LMNAPOLB
SCHEMBL909598 0.77 AR (0.48) ARRORCLMNAPOLBMAPKAPK2
SCHEMBL29078711 0.77 AR (0.47) ARRORCMAP4K4LMNAPOLB
SCHEMBL21494643 0.76 AR (0.48) ARRORCMAP4K4LMNAPOLB
SCHEMBL29078710 0.74 AR (0.47) ARRORCMAP4K4LMNAPOLB
SCHEMBL14959644 0.74 AR (0.69) AR
SCHEMBL30690793 0.72 MAP4K4 (0.43) ARRORCMAP4K4MAPKAPK2SYK
SCHEMBL27280232 0.72 MAP4K4 (0.43) ARRORCMAP4K4MAPKAPK2SYK
SCHEMBL23147917 0.71 AR (0.43) ARRORCMAP4K4MAPKAPK2SYK
SCHEMBL27989596 0.71 RORC (0.49) ARRORCLMNAPOLBSYK

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
CN-116547282-A Heterocyclic compounds and their use for the treatment of helminth infections and diseases 新基公司 2023-08-04 CN disclosed