SCHEMBL3882676

SCHEMBL3882676

COc1cccc(-c2ccc(Nc3ncccc3C(=O)OC(=O)c3cccnc3Nc3ccc(-c4cccc(OC(F)F)c4)cc3F)c(Cl)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 17/20 0.68
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.42
TOP1 P11387 1/20 0.41

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
SCHEMBL3882673 0.92 DHODH (0.81) DHODHMEN1KMT2APKMMAPK1
SCHEMBL729482 0.82 DHODH (0.78) DHODHMEN1KMT2APKMMAPK1
SCHEMBL290518 0.82 DHODH (0.81) DHODHMEN1KMT2APKMMAPK1
SCHEMBL729186 0.82 DHODH (1.00) DHODHMEN1KMT2APKMMAPK1
SCHEMBL3873430 0.76 DHODH (0.82) DHODHMEN1KMT2APKMMAPK1
SCHEMBL1487273 0.76 DHODH (0.76) DHODHMEN1KMT2APKMMAPK1
SCHEMBL3732485 0.76 DHODH (0.67) DHODH
SCHEMBL3884284 0.75 DHODH (0.77) DHODHMEN1KMT2APKMMAPK1
SCHEMBL3728325 0.75 DHODH (0.67) DHODH
SCHEMBL3872775 0.75 DHODH (0.69) DHODHMEN1KMT2AHTT

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-2121614-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2009-11-25 EP disclosed
WO-2008077639-A1 AMINO NICOTINIC AND ISONICOTINIC ACID DERIVATIVES AS DHODH INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-07-03 WO disclosed