SCHEMBL10848469

SCHEMBL10848469

COC(=O)c1cccc(C(=CC#N)c2cccc3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PLK1 P53350 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX12 P18054 1/20 0.40
NPC1 O15118 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.40
MAOB P27338 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL10848465 1.00 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL24704162 0.80 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL24704152 0.80 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL4818718 0.79 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL4818722 0.79 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL8525580 0.78 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8525581 0.78 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL24704158 0.77 NR4A1 (0.47) MAPTKMT2AALDH1A1PLK1HPGD
SCHEMBL10773921 0.75 CNR2 (0.45) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10773918 0.75 CNR2 (0.45) 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-4568377-A IMPROVED CROP SAFETY CHEVRON RESEARCH COMPANY (US) 1986-02-04 US disclosed