SCHEMBL30114922

SCHEMBL30114922

CC(=O)NC(C)(C)c1nc2cc(C(F)(F)F)c(Cl)cc2n1-c1ccc(CCOC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 8/20 0.37
PTGER4 P35408 2/20 0.37
KMT2A Q03164 3/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GNRHR P30968 1/20 0.32
PPARA Q07869 1/20 0.32
PPARG P37231 1/20 0.32
AGTR1 P30556 2/20 0.32

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
SCHEMBL21470115 1.00 AGTR2 (0.37) AGTR2PTGER4KMT2ATP53MAPT
SCHEMBL2356746 0.87 PTGER4 (0.48) AGTR2PTGER4KMT2ATP53MAPT
SCHEMBL1626400 0.86 RAF1 (0.34) AGTR2PPARG
SCHEMBL21470223 0.84 PTGER4 (0.37) AGTR2PTGER4KMT2ATP53MAPT
SCHEMBL30114744 0.84 PTGER4 (0.37) AGTR2PTGER4KMT2ATP53MAPT
SCHEMBL21470221 0.84 PTGER4 (0.37) AGTR2PTGER4KMT2ATP53MAPT
SCHEMBL30114904 0.84 PTGER4 (0.37) AGTR2PTGER4KMT2ATP53MAPT
SCHEMBL2351917 0.84 HRH3 (0.38) AGTR2PTGER4TP53
SCHEMBL30114876 0.84 HRH3 (0.38) AGTR2PTGER4TP53
SCHEMBL1625175 0.83 MAPT (0.35) PTGER4MAPTGNRHR

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
EP-2976105-B1 USE OF EP4 RECEPTOR ANTAGONISTS IN THE TREATMENT OF CARTILAGE DISEASE ASKAT INC (JP) 2023-01-04 EP disclosed