SCHEMBL22278720

SCHEMBL22278720

CC(CCN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(-c3cc(F)cc(OC(F)F)c3)ccc21)OCCC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 20/20 0.56
▸ NR1I2 O75469 3/20 0.55
▸ RORA P35398 1/20 0.55
▸ RORB Q92753 1/20 0.55

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
SCHEMBL22278766 0.92 RORC (0.65) RORCNR1I2RORARORB
SCHEMBL24061198 0.92 RORC (0.58) RORCNR1I2RORARORB
SCHEMBL24061270 0.92 RORC (0.58) RORCNR1I2RORARORB
SCHEMBL22278719 0.88 RORC (0.64) RORCNR1I2RORARORB
SCHEMBL22278509 0.88 RORC (0.60) RORCNR1I2RORARORB
SCHEMBL22278761 0.87 RORC (0.67) RORCNR1I2RORARORB
SCHEMBL22278493 0.86 RORC (0.61) RORCNR1I2RORARORB
SCHEMBL22278505 0.86 RORC (0.61) RORCNR1I2RORARORB
SCHEMBL22278471 0.86 RORC (0.68) RORCNR1I2RORARORB
SCHEMBL22278691 0.86 RORC (0.68) RORCNR1I2RORARORB

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-2020151232-A1 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2020-07-30 — — WO disclosed
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