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SCHEMBL6626686

SCHEMBL6626686

CCOc1cc2c(cc1OCC)C(CC)C(=O)N(C)N=C2c1cc2ccccc2s1.CCOc1cc2c(cc1OCC)C(c1cc3ccccc3s1)=NN(C)C(=O)C2.CCOc1cc2c(cc1OCC)C(c1ccc(Cl)cc1)=NN(C)C(=O)C2.COc1cc2c(cc1OC)C(c1cc3ccccc3s1)=NN(C)C(=O)C2.COc1cc2c(cc1OC)C(c1ccc(-c3ccco3)cc1)=NN(C)C(=O)C2.COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)=NN(C)C(=O)C2.COc1cc2c(cc1OC)C(c1ccc3ccccc3c1)=NN(C)C(=O)C2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 7/20 0.33
▸ TP53 P04637 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MDM4 O15151 2/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MAPK10 P53779 1/20 0.30

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
SCHEMBL5486782 0.76 JAK2 (0.35) KDM4ENPC1RAB9A
SCHEMBL5493513 0.75 GABRA5 (0.41) MDM2TP53KMT2AMEN1HTT
SCHEMBL5493720 0.73 MAPK1 (0.43) TP53KDM4EKMT2AMEN1
SCHEMBL5494671 0.72 GABRA5 (0.43) TP53KDM4ENPC1RAB9AKMT2A
SCHEMBL5490129 0.71 MDM2 (0.47) MDM2TP53NPC1RAB9AMDM4
SCHEMBL5489293 0.71 MAPK10 (0.48) TP53KDM4EKMT2AMAPK10
SCHEMBL5485209 0.70 JAK2 (0.34) KDM4ENPC1RAB9A
SCHEMBL5486147 0.68 MAPK1 (0.47) KDM4EKMT2AMEN1HTTMAPK10
SCHEMBL5493764 0.67 MAPK1 (0.49) KDM4EKMT2AMEN1HTTMAPK10
SCHEMBL6624822 0.67 PDE2A (0.32) —

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-1392663-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2004-03-03 — — EP claimed
WO-2002098865-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-12-12 — — WO claimed