SCHEMBL22908613

SCHEMBL22908613

COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.71
KMT2A Q03164 7/20 0.67
GAA P10253 6/20 0.67
TDP1 Q9NUW8 3/20 0.67
CD274 Q9NZQ7 4/20 0.65
PDCD1 Q15116 3/20 0.65
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
MEN1 O00255 6/20 0.58
MAPT P10636 5/20 0.58
POLB P06746 2/20 0.58
LMNA P02545 2/20 0.58
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.47
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45

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
SCHEMBL4663177 0.93 CD274 (0.64) APPKMT2AGAATDP1CD274
SCHEMBL11730124 0.93 CD274 (0.68) APPKMT2AGAATDP1CD274
SCHEMBL22908615 0.87 KMT2A (0.63) APPKMT2AGAATDP1CD274
SCHEMBL9377730 0.84 KMT2A (0.72) APPKMT2AGAATDP1CD274
SCHEMBL22908696 0.84 GAA (0.62) APPKMT2AGAATDP1CD274
SCHEMBL19336187 0.81 APP (0.66) APPKMT2AGAATDP1CD274
SCHEMBL1562748 0.81 APP (0.91) APPKMT2AGAATDP1CA12
SCHEMBL8621001 0.81 KMT2A (0.58) APPKMT2AGAATDP1CD274
SCHEMBL22909492 0.80 CD274 (0.64) APPKMT2AGAATDP1CD274
SCHEMBL29392433 0.80 CA12 (0.70) APPKMT2AGAACD274PDCD1

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
WO-2021009384-A1 NOVEL PYRAZOLONE DERIVATIVES AS PD-1/PD-L1 INTERACTION INHIBITORS CENTRE HOSPITALIER REGIONAL UNIVERSITAIRE DE LILLE (FR) 2021-01-21 WO disclosed
EP-3766544-A1 NOVEL PYRAZOLONE DERIVATIVES AS PD-1/PD-L1 INTERACTION INHIBITORS Centre Hospitalier Regional Universitaire de Lille (FR) 2021-01-20 EP disclosed