SCHEMBL3664337

SCHEMBL3664337

COC(=O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2Cl)nc1.O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2ccccc2Cl)nc1

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.87

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
SCHEMBL468424 0.96 DHODH (0.80) DHODH
SCHEMBL468581 0.93 DHODH (1.00) DHODH
SCHEMBL2125018 0.85 DHODH (0.81) DHODH
SCHEMBL468755 0.83 DHODH (1.00) DHODH
SCHEMBL2124060 0.83 DHODH (0.62) DHODH
SCHEMBL468646 0.82 DHODH (1.00) DHODH
SCHEMBL2126648 0.82 DHODH (0.81) DHODH
SCHEMBL2407044 0.82 DHODH (0.56) DHODH
SCHEMBL468571 0.82 DHODH (1.00) DHODH
SCHEMBL467948 0.81 DHODH (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210615-A1 Combinations comprising methotrexate and DHODH inhibitors Almirall, S.A. (ES) 2010-07-28 EP claimed