SCHEMBL9752163

SCHEMBL9752163

COCCOc1nc(N)nc2c1ncn2[C@@H]1C[C@H](COCc2ccccc2)[C@@H](O)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MGMT P16455 2/20 0.39
▸ PDE2A O00408 2/20 0.39
▸ NAE1 Q13564 3/20 0.38
▸ UBA3 Q8TBC4 3/20 0.38
▸ HSPA5 P11021 1/20 0.36
▸ NT5E P21589 2/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ AHCY P23526 1/20 0.34
▸ SLC29A1 Q99808 2/20 0.34

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
SCHEMBL9752227 0.87 MGMT (0.34) MGMTPDE2AHSPA5NT5E
SCHEMBL9752226 0.87 MGMT (0.34) MGMTPDE2AHSPA5NT5E
SCHEMBL9752212 0.86 PDE2A (0.49) PDE2ANAE1UBA3NT5EADORA2A
SCHEMBL9752215 0.81 ABCB1 (0.43) MGMTPDE2A
SCHEMBL9752214 0.81 ABCB1 (0.43) MGMTPDE2A
SCHEMBL9752237 0.81 ABCB1 (0.43) MGMTPDE2A
SCHEMBL9366104 0.78 AHCY (0.48) MGMTPDE2ANT5EADORA2AADORA2B
SCHEMBL9366097 0.78 AHCY (0.48) MGMTPDE2ANT5EADORA2AADORA2B
SCHEMBL9752219 0.77 MGMT (0.40) MGMTPDE2AHSPA5NT5EADORA2A
SCHEMBL9752216 0.77 MGMT (0.40) MGMTPDE2AHSPA5NT5EADORA2A

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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