Sugi Predict

Sugi Predict / Compounds / SCHEMBL25839936

SCHEMBL25839936

SCHEMBL25839936

CONC(=O)C1=C(C(=O)Nc2ccc(-c3cccc(OC)c3)cc2F)CCC1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 20/20 0.82
▸ NR4A2 P43354 8/20 0.82
▸ NR4A1 P22736 2/20 0.82
▸ JMJD7 P0C870 1/20 0.82
▸ NR4A3 Q92570 1/20 0.82
▸ NR1H4 Q96RI1 1/20 0.82

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
SCHEMBL28323370 0.92 DHODH (0.82) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL25834765 0.90 DHODH (0.84) DHODHNR4A2NR4A1JMJD7NR4A3
Vidofludimus SCHEMBL247888 0.90 DHODH (1.00) DHODHNR4A2NR4A1JMJD7NR4A3
Vidofludimus SCHEMBL29352865 0.90 DHODH (1.00) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL4397456 0.90 DHODH (0.84) DHODHNR4A2NR4A1JMJD7NR4A3
Vidofludimus SCHEMBL28974266 0.89 DHODH (0.98) DHODHNR4A2NR4A1JMJD7NR4A3
Vidofludimus SCHEMBL30309879 0.88 DHODH (0.81) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL25839584 0.88 DHODH (0.88) DHODHNR4A2NR4A1JMJD7NR4A3
Vidofludimus SCHEMBL30209677 0.88 DHODH (0.79) DHODHNR4A2NR4A1JMJD7NR4A3
SCHEMBL24180482 0.86 DHODH (0.76) DHODHNR4A2NR4A1JMJD7NR4A3

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