SCHEMBL22451906

SCHEMBL22451906

Nc1ccc(CC(=O)Nc2ccc(-c3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 20/20 1.00
RORA P35398 2/20 0.62
NR1H4 Q96RI1 1/20 0.62

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
SCHEMBL29832886 1.00 RORC (1.00) RORCRORANR1H4
SCHEMBL19165251 0.91 RORC (0.84) RORCRORANR1H4
SCHEMBL19165424 0.89 RORC (0.81) RORCRORANR1H4
SCHEMBL19166608 0.89 RORC (0.81) RORCRORANR1H4
SCHEMBL19165858 0.89 RORC (0.81) RORCRORANR1H4
SCHEMBL24032689 0.87 RORC (0.76) RORCRORANR1H4
SCHEMBL19165254 0.86 RORC (1.00) RORCRORANR1H4
SCHEMBL22451994 0.86 RORC (1.00) RORCRORANR1H4
SCHEMBL19165545 0.85 RORC (0.74) RORCRORANR1H4
SCHEMBL17114467 0.85 RORC (0.73) 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
WO-2020186632-A1 BENZIDINE COMPOUND AND APPLICATION THEREOF 中国科学院广州生物医药与健康研究院 2020-09-24 WO disclosed