SCHEMBL22959321

SCHEMBL22959321

COc1ccc(Oc2c(Cl)cc(NC(=O)Cc3cccnc3)cc2Cl)cc1C1CC1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 11/20 0.73
THRB P10828 4/20 0.73
CHEK1 O14757 1/20 0.45
CDK9 P50750 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
CRACR2A Q9BSW2 1/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL22959145 0.90 RORC (0.58) RORCTHRBCHEK1CDK9HRH3
SCHEMBL22959366 0.87 RORC (0.79) RORCTHRBCHEK1CDK9GAA
SCHEMBL22959380 0.85 RORC (0.75) RORCTHRBHRH3CRACR2A
SCHEMBL22959272 0.84 RORC (0.75) RORCTHRBCHEK1CDK9GAA
SCHEMBL22959110 0.84 RORC (1.00) RORCTHRBCHEK1CDK9
SCHEMBL22959179 0.78 RORC (0.85) RORCTHRB
SCHEMBL22959350 0.77 RORC (0.82) RORCTHRB
SCHEMBL22959177 0.76 RORC (0.80) RORCTHRBGAAALDH1A1L3MBTL1
SCHEMBL22959119 0.76 RORC (0.63) RORCTHRBCDK9GAAALDH1A1
SCHEMBL22959408 0.76 RORC (1.00) RORCTHRBCHEK1CDK9

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-2021026179-A1 AGONISTS OF ROR GAMMAt BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-11 WO disclosed