SCHEMBL22959249

SCHEMBL22959249

COc1ccc(Oc2c(Cl)cc(NC(=O)c3ccccc3)cc2Cl)cc1C(C)C

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.73
THRB P10828 6/20 0.73
PNLIP P16233 1/20 0.52
RAB9A P51151 2/20 0.50
THRA P10827 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL7584863 0.88 THRB (0.57) RORCTHRBRAB9ATHRALMNA
SCHEMBL22959340 0.87 RORC (0.67) RORCTHRBTHRA
SCHEMBL22959176 0.85 RORC (0.70) RORCTHRBTHRA
SCHEMBL22959162 0.85 RORC (0.70) RORCTHRBTHRA
SCHEMBL8799780 0.84 RORC (0.68) RORCTHRBTHRA
SCHEMBL22959104 0.83 RORC (0.67) RORCTHRBTHRALMNA
SCHEMBL22959250 0.82 RORC (0.72) RORCTHRBTHRA
SCHEMBL5619231 0.82 THRB (0.73) RORCTHRBTHRA
SCHEMBL22959193 0.82 RORC (0.74) RORCTHRBTHRA
SCHEMBL8902087 0.81 THRB (0.65) RORCTHRBTHRA

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