SCHEMBL9752227

SCHEMBL9752227

COCCOc1nc(N)nc2c1ncn2C1CC(COCc2ccccc2)C([Se]c2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGMT P16455 2/20 0.34
▸ PDE2A O00408 2/20 0.34
▸ MPO P05164 2/20 0.32
▸ HSPA5 P11021 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TPO P07202 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ EPX P11678 1/20 0.31
▸ NT5E P21589 1/20 0.31
▸ TLR7 Q9NYK1 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
SCHEMBL9752226 1.00 MGMT (0.34) MGMTPDE2AMPOHSPA5CTSL
SCHEMBL9752163 0.87 MGMT (0.39) MGMTPDE2AHSPA5NT5E
SCHEMBL9752214 0.78 ABCB1 (0.43) MGMTPDE2AMPOTPOCYP3A4
SCHEMBL9752237 0.78 ABCB1 (0.43) MGMTPDE2AMPOTPOCYP3A4
SCHEMBL9752215 0.78 ABCB1 (0.43) MGMTPDE2AMPOTPOCYP3A4
SCHEMBL9752228 0.73 MGMT (0.36) MGMTMPOTPOCYP3A4EPX
SCHEMBL9752212 0.72 PDE2A (0.49) PDE2ANT5E
SCHEMBL10171925 0.72 PDE2A (0.44) MGMTPDE2AMPOCYP1A2TSHR
SCHEMBL9366104 0.72 AHCY (0.48) MGMTPDE2AMPOTPOCYP3A4
SCHEMBL9366097 0.72 AHCY (0.48) MGMTPDE2AMPOTPOCYP3A4

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
WO-1991001318-A1 SYNTHESIS OF CYCLOPENTENE DERIVATIVES GLAXO GROUP LIMITED (GB) 1991-02-07 — — WO disclosed
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