SCHEMBL3455093

SCHEMBL3455093

CC(=O)c1cccc(Nc2ncccc2C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
DHODH Q02127 7/20 0.67
PKM P14618 2/20 0.67
HTT P42858 2/20 0.67
MAPK1 P28482 1/20 0.67
RAB9A P51151 4/20 0.64
LMNA P02545 4/20 0.64
NPC1 O15118 3/20 0.64
MAPT P10636 3/20 0.64
ALDH1A1 P00352 4/20 0.63
GMNN O75496 1/20 0.63
TTR P02766 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
NFKB1 P19838 1/20 0.63
UGT1A1 P22309 1/20 0.63
PTGS1 P23219 1/20 0.63
PTGS2 P35354 1/20 0.63

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
SCHEMBL5252367 0.87 MEN1 (0.71) MEN1KMT2ADHODHPKMHTT
SCHEMBL10144303 0.83 MEN1 (0.71) MEN1KMT2ADHODHPKMHTT
SCHEMBL6797018 0.82 MEN1 (0.51) MEN1KMT2APKMHTTMAPK1
SCHEMBL6324644 0.82 DHODH (0.72) MEN1KMT2ADHODHPKMHTT
SCHEMBL479877 0.81 DHODH (1.00) MEN1KMT2ADHODHPKMHTT
SCHEMBL15636690 0.81 LMNA (0.78) MEN1KMT2ADHODHPKMHTT
SCHEMBL4905983 0.81 DHODH (0.72) MEN1KMT2ADHODHPKMHTT
SCHEMBL17110905 0.81 AKR1C3 (0.55) MEN1KMT2APKMHTTMAPK1
SCHEMBL5256676 0.80 MEN1 (0.65) MEN1KMT2ADHODHPKMHTT
SCHEMBL7440301 0.78 MEN1 (0.60) MEN1KMT2ADHODHPKMHTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed
EP-1770093-A1 Pyrido¬2,3-d|pyrimidine derivatives as phosphodiesterase inhibitors Roche Palo Alto LLC (US) 2007-04-04 EP disclosed
EP-0631580-A1 PYRIDO 2,3-d]PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-01-04 EP disclosed
WO-1993019068-A1 PYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-09-30 WO disclosed