SCHEMBL25838236

SCHEMBL25838236

CONC(=O)C1=C(C(=O)Nc2c(F)c(F)c(-c3cccc(OC)c3)c(F)c2F)COC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 17/20 0.64
NR4A2 P43354 5/20 0.54
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
DHFR P00374 2/20 0.46
JMJD7 P0C870 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL299558 0.81 DHODH (0.77) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL31326967 0.81 DHODH (0.84) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL20673315 0.78 DHODH (0.78) DHODHNR4A2TSHRNPSR1DHFR
SCHEMBL25838107 0.78 DHODH (0.67) DHODHNR4A2TSHRNPSR1JMJD7
SCHEMBL25839584 0.77 DHODH (0.88) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3924998 0.77 DHODH (0.86) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL20673194 0.76 DHODH (0.56) DHODHNR4A2TSHRNPSR1DHFR
SCHEMBL31026705 0.75 DHODH (0.52) DHODHNR4A2TSHRNPSR1DHFR
SCHEMBL31026702 0.75 DHODH (0.51) DHODHNR4A2TSHRNPSR1DHFR
SCHEMBL31026709 0.75 DHODH (0.51) DHODHNR4A2TSHRNPSR1DHFR

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-2023118576-A1 DHODH INHIBITORS CONTAINING A CARBOXYLIC ACID BIOISOSTERE IMMUNIC AG (DE) 2023-06-29 WO disclosed