SCHEMBL30320910

SCHEMBL30320910

Nc1cc(Cl)c(-c2ccccc2OC(F)(F)F)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 19/20 0.50
MAP2 P11137 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL14744202 1.00 RORC (0.50) RORCMAP2CYP2C9CYP2C19
SCHEMBL14744191 0.91 RORC (0.44) RORCMAP2CYP2C9CYP2C19
SCHEMBL14744242 0.90 RORC (0.48) RORCMAP2CYP2C9CYP2C19
SCHEMBL14744452 0.86 RORC (0.49) RORCMAP2CYP2C9CYP2C19
SCHEMBL14744245 0.83 RORC (0.45) RORCMAP2
SCHEMBL30321020 0.83 RORC (0.45) RORCMAP2
SCHEMBL14744380 0.82 ALOX5AP (0.47) RORCMAP2CYP2C9
SCHEMBL30320922 0.81 RORC (0.46) RORCMAP2
SCHEMBL20943238 0.80 RORC (0.56) RORCCYP2C9CYP2C19
SCHEMBL14744335 0.79 GRIA1 (0.39) 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-113666853-B Biaryl compounds useful as ROR gamma modulators 上海辉启生物医药科技有限公司 2023-04-18 CN disclosed