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SCHEMBL21729658

SCHEMBL21729658

C[S+]([O-])c1ccc2c(c1)CN(C(=O)C1(O)CC1)C2C(=O)Nc1cnc(N(Cc2ccc(C(F)(F)F)cc2)C2CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 20/20 0.48
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL21729678 0.94 RORC (0.48) RORCCYP2D6
SCHEMBL21729694 0.92 RORC (0.51) RORCCYP2D6
SCHEMBL21729721 0.91 RORC (0.41) RORCCYP2D6
SCHEMBL21729657 0.91 RORC (0.41) RORC
SCHEMBL21729648 0.90 RORC (0.39) RORCCYP2D6
SCHEMBL21729656 0.89 RORC (0.37) RORCCYP2D6
SCHEMBL21729651 0.89 RORC (0.49) RORCCYP2D6
SCHEMBL21729655 0.89 RORC (0.63) RORCCYP2D6
SCHEMBL21729720 0.88 RORC (0.39) RORC
SCHEMBL21729729 0.88 RORC (0.46) RORCCYP2D6

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