SCHEMBL2872503

SCHEMBL2872503

COC(=O)c1cc(C2CC2)ccc1[AsH]c1cnc(-c2cccc(Cl)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.43
DHODH Q02127 8/20 0.42
CNR2 P34972 5/20 0.39
SLC6A2 P23975 1/20 0.38
GABRA5 P31644 1/20 0.37
CNR1 P21554 2/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL2405393 0.82 DHODH (0.63) SLC6A3DHODH
SCHEMBL2222523 0.72 GABRA5 (0.52) SLC6A3SLC6A2GABRA5
SCHEMBL468420 0.72 DHODH (0.80) DHODH
SCHEMBL2405740 0.68 DHODH (0.83) DHODH
SCHEMBL18668155 0.67 MEN1 (0.50) SLC6A3SLC6A2
SCHEMBL2848357 0.67 DHODH (0.62) DHODH
SCHEMBL2127961 0.65 DHODH (0.68) DHODH
SCHEMBL3724535 0.65 OPRK1 (0.47) SLC6A3DHODH
SCHEMBL14152801 0.65 CNR2 (0.64) SLC6A3CNR2SLC6A2CNR1
SCHEMBL3576543 0.65 SLC6A3 (0.46) SLC6A3SLC6A2

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-2178840-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2010-04-28 EP disclosed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 WO disclosed