SCHEMBL9710883

SCHEMBL9710883

N#Cc1c2n(c(=O)n1-c1ccc(Cl)cc1F)CCCC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
NOTUM Q6P988 1/20 0.33
HPD P32754 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
SRD5A1 P18405 2/20 0.32
AR P10275 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CCR2 P41597 2/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
NPC1 O15118 1/20 0.31
S1PR4 O95977 1/20 0.31

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
SCHEMBL9710947 0.84 KDM4E (0.36) LMNAPDE4BPDE4DALDH1A1KDM4E
SCHEMBL9711130 0.83
SCHEMBL9710925 0.81 PPOX (0.43) LMNAALDH1A1MAPTMAPK1HSD17B10
SCHEMBL9710816 0.79 CCR2 (0.34) PDE4BPDE4DCCR2CCR1CCR5
SCHEMBL9710650 0.78 CCR2 (0.35) PDE4BPDE4DCCR2CCR1CCR5
SCHEMBL9711057 0.72 AOC3 (0.34) PDE4BPDE4DS1PR4S1PR1S1PR5
SCHEMBL9710638 0.71 KDM4E (0.40) ALDH1A1KDM4EHPGD
SCHEMBL10911510 0.71 ALDH1A1 (0.51) LMNAPDE4BPDE4DALDH1A1KDM4E
SCHEMBL31442447 0.71 ALDH1A1 (0.51) LMNAPDE4BPDE4DALDH1A1KDM4E
SCHEMBL9710867 0.71 MAPK8 (0.44) LMNAPDE4BPDE4DALDH1A1KDM4E

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-1992021662-A1 POSSIBLY CONDENSED PHENYLIMIDAZOLONES AND PYRIMIDINONES AS HERBICIDES; INTERMEDIATES DOWELANCO (US) 1992-12-10 WO disclosed