SCHEMBL21729633

SCHEMBL21729633

CC(=O)N1Cc2ccc(S(C)(=O)=O)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.55
SLC6A9 P48067 8/20 0.44
SLC6A5 Q9Y345 3/20 0.44
PNMT P11086 3/20 0.44
USP30 Q70CQ3 1/20 0.44
TMEM97 Q5BJF2 4/20 0.42
KCNH2 Q12809 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL11478363 0.88 NOTUM (0.58) NOTUMPNMT
SCHEMBL6923184 0.85 NOTUM (0.53) NOTUM
SCHEMBL11325713 0.85 NOTUM (0.48) NOTUMPNMTUSP30
SCHEMBL4035842 0.81 PNMT (0.49) NOTUMPNMT
SCHEMBL18971976 0.80 NAMPT (0.54) SLC6A9SLC6A5PNMTUSP30TMEM97
SCHEMBL18022672 0.79 ESR2 (0.53) TMEM97KCNH2SIGMAR1
SCHEMBL18971905 0.78 DPP7 (0.45) SLC6A9SLC6A5TMEM97KCNH2SIGMAR1
SCHEMBL14067246 0.78 NAMPT (0.55) NOTUM
SCHEMBL10150901 0.75 NOTUM (0.62) NOTUM
SCHEMBL14067114 0.75 NOTUM (0.62) NOTUM

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-2020035556-A1 NOVEL HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2020-02-20 WO disclosed