SCHEMBL28536649

SCHEMBL28536649

CS(=O)(=O)C1CCC(C#N)(COC(N)=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.33
SCN9A Q15858 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DPP4 P27487 4/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.31
CTNNB1 P35222 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL28536645 1.00 RORC (0.33) RORCSCN9AHTTL3MBTL1DPP4
SCHEMBL28538887 0.79 ALOX15 (0.34) RORCHTTL3MBTL1GAAALOX15
SCHEMBL28538886 0.79 ALOX15 (0.34) RORCHTTL3MBTL1GAAALOX15
SCHEMBL28544240 0.77 RORC (0.31) RORC
SCHEMBL28538784 0.77 SLC6A9 (0.33) RORCGAAALOX15CTNNB1
Hydrochloric Acid SCHEMBL21598022 0.75 RORC (0.31) RORC
SCHEMBL23189901 0.72 RORC (0.41) RORC
SCHEMBL28691047 0.72 KDM4E (0.33)
SCHEMBL28415975 0.72 AOC2 (0.37) L3MBTL1DPP4
SCHEMBL23220045 0.72 RORC (0.42) RORC

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-112566901-A Phenyl-substituted pyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-03-26 CN disclosed