SCHEMBL1124038

SCHEMBL1124038

COc1cccc(-c2ccc(NC(=O)c3ccsc3)c(F)c2)c1.Cc1ccc(C(=O)O)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 13/20 0.59
NR4A2 P43354 4/20 0.53
JMJD7 P0C870 1/20 0.53
NR4A1 P22736 1/20 0.53
NR4A3 Q92570 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
ABCB1 P08183 4/20 0.48
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
ABCC1 P33527 1/20 0.45
HDAC2 Q92769 1/20 0.44

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
SCHEMBL1123965 0.79 DHODH (0.74) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL1336884 0.76 DHODH (0.78) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL517692 0.75 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL28602602 0.72 DHODH (0.55) DHODHSMN1; SMN2
SCHEMBL2271137 0.71 HDAC2 (0.74) DHODHRAB9ASMN1; SMN2NPC1HDAC2
Vidofludimus SCHEMBL29352865 0.70 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
Vidofludimus SCHEMBL247888 0.70 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL14418145 0.69 DHODH (0.67) DHODHNR4A2JMJD7NR4A1NR4A3
Vidofludimus SCHEMBL28974266 0.69 DHODH (0.98) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL14418192 0.69 DHODH (0.73) DHODHNR4A2JMJD7NR4A1NR4A3

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-2283898-A1 Aromatic compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4SC AG (DE) 2011-02-16 EP disclosed