SCHEMBL19360548

SCHEMBL19360548

COC(=O)c1ccc2c(c1)cc(Cc1ccc(C(F)(F)F)cc1Cl)n2C(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.49
MRGPRX4 Q96LA9 2/20 0.43
PPARG P37231 2/20 0.38
TRPV1 Q8NER1 1/20 0.36
KIF11 P52732 1/20 0.36
IDH1 O75874 1/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36

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
SCHEMBL19360322 0.89 RORC (0.49) RORCTRPV1KIF11IDH1TLR2
SCHEMBL19360549 0.89 RORC (0.49) RORCMRGPRX4PPARG
SCHEMBL19360378 0.85 RORC (0.64) RORCIDH1
SCHEMBL19360575 0.85 RORC (0.65) RORCMRGPRX4KIF11
SCHEMBL19360580 0.82 RORC (0.63) RORCKIF11
SCHEMBL19360303 0.82 RORC (0.64) RORCPPARGKIF11
SCHEMBL19360387 0.79 RORC (0.81) RORC
SCHEMBL19360326 0.78 RORC (0.49) RORCPPARG
SCHEMBL19360367 0.78 RORC (0.66) RORCPPARGKIF11IDH1
SCHEMBL19360374 0.77 RORC (0.61) RORCKIF11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531679-B Aromatic amide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-07-02 CN disclosed
WO-2017157332-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATIONS THEREOF 江苏恒瑞医药股份有限公司 2017-09-21 WO disclosed