SCHEMBL2825610

SCHEMBL2825610

CCOc1cccc(-c2ccc(Nc3ccc(Cl)cc3C(=O)OC(=O)c3cc(Br)ccc3Nc3ccc(-c4cccc(OCC)c4)nc3)cn2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.61
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
PPARG P37231 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
AGPAT2 O15120 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
FYN P06241 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2825608 0.92 DHODH (0.73) DHODHAKR1C2AKR1C1KDM4EALDH1A1
SCHEMBL468552 0.86 DHODH (0.80) DHODHAKR1C2AKR1C1
SCHEMBL468533 0.86 DHODH (0.80) DHODHKDM4EALDH1A1MEN1POLB
SCHEMBL2820987 0.77 DHODH (0.64) DHODH
SCHEMBL468546 0.77 DHODH (0.80) DHODHKDM4EALDH1A1TP53MAPT
SCHEMBL468466 0.76 DHODH (1.00) DHODH
SCHEMBL468580 0.76 DHODH (0.82) DHODH
SCHEMBL13951324 0.75 DHODH (0.80) DHODH
SCHEMBL5934330 0.71 P4HTM (0.59) DHODHKDM4EALDH1A1TP53MAPT
SCHEMBL2404733 0.71 FYN (0.51) DHODHKDM4ETP53MAPTGAA

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 claimed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 WO claimed