SCHEMBL6447571

SCHEMBL6447571

COc1ccc(-c2cc(F)c(NC(=O)c3ccsc3C(=O)O)c(F)c2OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.55
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
APP P05067 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
PTPN1 P18031 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ABCB1 P08183 1/20 0.39
ANO1 Q5XXA6 1/20 0.39

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
SCHEMBL6430181 0.79 DHODH (0.61) DHODHMEN1KMT2A
SCHEMBL1124110 0.78 DHODH (0.66) DHODHMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6430362 0.77 DHODH (0.58) DHODHMEN1KMT2AANO1
SCHEMBL18118633 0.76 DHODH (0.81) DHODH
SCHEMBL16485603 0.73 DHODH (0.60) DHODHKMT2ASMN1; SMN2PTPN1ALDH1A1
SCHEMBL18118634 0.73 DHODH (0.80) DHODHPTPN1
SCHEMBL1124081 0.72 DHODH (0.73) DHODHMEN1KMT2A
SCHEMBL30511209 0.71 DHODH (0.77) DHODH
SCHEMBL1123967 0.71 DHODH (0.68) DHODHMEN1KMT2ANPC1
SCHEMBL517692 0.71 DHODH (1.00) DHODHNPC1SMN1; SMN2ABCB1

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
EP-1578741-A1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2005-09-28 EP disclosed
WO-2004056797-A1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-07-08 WO disclosed