SCHEMBL19360581

SCHEMBL19360581

O=C(O)c1ccc2c(c1)cc(Cc1ccc(F)cc1C(F)(F)F)n2C1CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.53
P2RX7 Q99572 7/20 0.38
TTR P02766 2/20 0.37
RBP4 P02753 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
IDH1 O75874 1/20 0.37
EPHX2 P34913 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL19360314 0.89 RORC (0.65) RORCMRGPRX4
SCHEMBL19360436 0.89 RORC (0.51) RORCTTRRBP4IDH1EPHX2
SCHEMBL19360582 0.88 RORC (0.54) RORCP2RX7RBP4IDH1EPHX2
SCHEMBL19360540 0.84 RORC (0.45) RORCIDH1EPHX2SLC6A4L3MBTL1
SCHEMBL20822477 0.80 RORC (0.52) RORCP2RX7MRGPRX4EPHX2
SCHEMBL19360306 0.80 RORC (0.65) RORCP2RX7MRGPRX4EPHX2
SCHEMBL30076092 0.80 RORC (0.45) RORCTTREPHX2
SCHEMBL19360525 0.79 RORC (0.68) RORCEPHX2
SCHEMBL19360385 0.79 RORC (0.85) RORC
SCHEMBL18440466 0.79 IDH1 (0.49) RORCIDH1L3MBTL1

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