SCHEMBL8520971

SCHEMBL8520971

CCC1OC(=O)N(CCc2cccc(NC(=O)c3ccno3)c2)N=C1c1ccc(OC)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.41
PDE4B Q07343 5/20 0.41
PDE4C Q08493 5/20 0.41
PDE4D Q08499 5/20 0.41
MAPT P10636 5/20 0.41
GAA P10253 1/20 0.41
PARP1 P09874 1/20 0.40
ACKR3 P25106 1/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
ABCB1 P08183 1/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
F2RL3 Q96RI0 1/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL6684977 0.92 PDE4D (0.43) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6842467 0.92 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8521759 0.89 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6692324 0.85 PDE4D (0.44) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6687195 0.85 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPARP1
SCHEMBL6683599 0.82 KMT2A (0.44) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8522085 0.82 MAPT (0.43) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6656354 0.82 TSHR (0.50) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL6655609 0.82 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6654394 0.82 TSHR (0.49) PDE4APDE4BPDE4CPDE4DMAPT

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
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed