SCHEMBL9544785

SCHEMBL9544785

CC(C)(C)OC(=O)Cn1cnc2ncnc(Cl)c21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ADORA2A P29274 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
P2RX7 Q99572 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
F2 P00734 1/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
DNMT3A Q9Y6K1 1/20 0.32

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
SCHEMBL9545171 0.79 P2RX7 (0.56) HDAC6P2RX7EGFRKDRCCNE2
SCHEMBL29427431 0.77 POLB (0.50) FPR2KDM4EALDH1A1HDAC6F2
SCHEMBL13807679 0.77 DAPK1 (0.42) KDM4EALDH1A1EGFRSRCKDR
SCHEMBL1919833 0.76 FPR2 (0.35) FPR2KDM4EALDH1A1ADORA2AHDAC6
SCHEMBL4014331 0.73 HDAC6 (0.41) FPR2KDM4EALDH1A1HDAC6P2RX7
SCHEMBL2063606 0.72 ADORA2A (0.64) ADORA2AP2RX7CCNE1CDK2DNMT3A
SCHEMBL24476420 0.71 AMPD1 (0.44) ALDH1A1ADORA2ASMN1; SMN2LMNA
SCHEMBL4007105 0.71 ADK (0.40) FPR2KDM4EALDH1A1HDAC6P2RX7
SCHEMBL28654272 0.71 AMPD1 (0.44) ALDH1A1ADORA2ASMN1; SMN2LMNA
SCHEMBL28657763 0.71 AMPD1 (0.44) ALDH1A1ADORA2ASMN1; SMN2LMNA

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-1993018035-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 WO disclosed