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Sugi Predict / Compounds / SCHEMBL14747198

SCHEMBL14747198

SCHEMBL14747198

CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)c(-c3ccccc3OC(F)F)c(Cl)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 20/20 1.00
▸ CYP2C9 P11712 1/20 0.77
▸ CYP2C19 P33261 1/20 0.77
▸ RORB Q92753 1/20 0.57

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
SCHEMBL14746496 0.90 RORC (0.81) RORCCYP2C9CYP2C19
SCHEMBL14746969 0.90 RORC (0.81) RORCCYP2C9CYP2C19
SCHEMBL14746820 0.87 RORC (0.78) RORCCYP2C9CYP2C19
SCHEMBL14746799 0.87 RORC (1.00) RORCCYP2C9CYP2C19
SCHEMBL29448169 0.87 RORC (1.00) RORCCYP2C9CYP2C19
SCHEMBL14754206 0.85 RORC (0.80) RORCCYP2C9CYP2C19
SCHEMBL14747061 0.84 RORC (0.73) RORCCYP2C9CYP2C19
SCHEMBL14747170 0.83 RORC (0.74) RORCCYP2C9CYP2C19
SCHEMBL14754207 0.82 RORC (0.72) RORCCYP2C9CYP2C19
SCHEMBL14754268 0.82 RORC (1.00) RORCCYP2C9CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 — — WO disclosed
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 — — WO disclosed