SCHEMBL21732280

SCHEMBL21732280

CC(C)(C)OC(=O)N1Cc2cc(S(C)(=O)=O)ccc2[C@@H]1C(=O)Nc1cnc(Cl)nc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 0.56
CYP2D6 P10635 7/20 0.56
KCNH2 Q12809 1/20 0.56
IL17A Q16552 1/20 0.51

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
SCHEMBL21732083 0.87 RORC (0.64) RORCCYP2D6KCNH2IL17A
SCHEMBL21729639 0.81 RORC (0.54) RORCCYP2D6KCNH2IL17A
SCHEMBL18971755 0.81 RORC (0.85) RORCCYP2D6KCNH2IL17A
SCHEMBL18939931 0.81 RORC (0.85) RORCCYP2D6KCNH2IL17A
SCHEMBL18961446 0.81 RORC (0.74) RORCCYP2D6KCNH2IL17A
SCHEMBL18961433 0.81 RORC (0.74) RORCCYP2D6KCNH2IL17A
SCHEMBL29758750 0.81 RORC (0.85) RORCCYP2D6KCNH2IL17A
SCHEMBL29758746 0.81 RORC (0.85) RORCCYP2D6KCNH2IL17A
SCHEMBL21732253 0.80 RORC (0.47) RORCCYP2D6KCNH2IL17A
SCHEMBL18939839 0.80 RORC (0.51) RORCCYP2D6KCNH2IL17A

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-2020035557-A1 NOVEL HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2020-02-20 WO disclosed