SCHEMBL2824205

SCHEMBL2824205

Cc1cc(Nc2c(C)cccc2C(=O)O)cnc1-c1cccc(OC(C)C)c1.Cc1cc(Nc2c(C)cccc2C(=O)O)cnc1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 17/20 0.70
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL468612 0.98 DHODH (0.72) DHODHMEN1TSHRKMT2ARXRA
SCHEMBL2824210 0.92 DHODH (0.62) DHODHMEN1TSHRKMT2ARXRA
SCHEMBL3665369 0.90 DHODH (0.63) DHODHMEN1TSHRKMT2ARXRA
SCHEMBL468516 0.89 DHODH (0.65) DHODH
SCHEMBL2407460 0.86 DHODH (0.59) DHODHMEN1TSHRKMT2ARXRA
SCHEMBL15789789 0.84 DHODH (0.65) DHODHMEN1TSHRKMT2ARXRA
SCHEMBL15789954 0.83 DHODH (0.71) DHODHTP53MAPT
SCHEMBL468857 0.82 DHODH (1.00) DHODH
SCHEMBL2407162 0.81 DHODH (0.54) DHODH
SCHEMBL468469 0.81 DHODH (0.68) DHODHMEN1KMT2A

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