SCHEMBL22959366

SCHEMBL22959366

COc1ccc(Oc2c(Cl)cc(NC(=O)Cc3cccnc3)cc2Cl)cc1Br

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.79
THRB P10828 6/20 0.79
CDK9 P50750 1/20 0.47
CHEK1 O14757 1/20 0.46
ALDH1A1 P00352 2/20 0.46
THRA P10827 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
NOD2 Q9HC29 1/20 0.44

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
SCHEMBL22959119 0.89 RORC (0.63) RORCTHRBCDK9ALDH1A1L3MBTL1
SCHEMBL22959110 0.88 RORC (1.00) RORCTHRBCDK9CHEK1
SCHEMBL22959272 0.88 RORC (0.75) RORCTHRBCDK9CHEK1ALDH1A1
SCHEMBL22959321 0.87 RORC (0.73) RORCTHRBCDK9CHEK1ALDH1A1
SCHEMBL22959177 0.85 RORC (0.80) RORCTHRBALDH1A1THRAL3MBTL1
SCHEMBL22959179 0.82 RORC (0.85) RORCTHRBTHRA
SCHEMBL22959350 0.80 RORC (0.82) RORCTHRBTHRA
SCHEMBL22959412 0.80 RORC (0.81) RORCTHRBTHRA
SCHEMBL22959408 0.79 RORC (1.00) RORCTHRBCDK9CHEK1THRA
SCHEMBL22959117 0.79 RORC (0.62) RORCTHRBCDK9ALDH1A1L3MBTL1

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