SCHEMBL6430362

SCHEMBL6430362

O=C(Nc1c(F)cc(-c2ccccc2)c(Cl)c1F)c1ccsc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.58
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ACLY P53396 2/20 0.39
ANO1 Q5XXA6 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38

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 0.90 DHODH (0.61) DHODHKMT2AMEN1TP53HTT
SCHEMBL1123967 0.81 DHODH (0.68) DHODHKMT2AMEN1
SCHEMBL1124081 0.80 DHODH (0.73) DHODHKMT2AMEN1HTT
SCHEMBL16485603 0.77 DHODH (0.60) DHODHKMT2A
SCHEMBL6447571 0.77 DHODH (0.55) DHODHKMT2AMEN1ANO1
SCHEMBL1124423 0.74 DHODH (1.00) DHODHKMT2AHTTMAPT
SCHEMBL18118633 0.72 DHODH (0.81) DHODH
SCHEMBL6429467 0.71 DHODH (0.60) DHODHKMT2AMEN1ACLYTP53
SCHEMBL517805 0.70 DHODH (1.00) DHODH
SCHEMBL30511209 0.70 DHODH (0.77) DHODH

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