SCHEMBL1491875

SCHEMBL1491875

O=c1c(Br)nn(CCCCC(F)(F)F)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.39
CNR1 P21554 6/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
PLK1 P53350 1/20 0.36
GLS O94925 1/20 0.35
PARP1 P09874 1/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
HRH1 P35367 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL587878 0.83 GUCY1A1 (0.41) PLK1
SCHEMBL13885733 0.82 CNR2 (0.51) CNR2CNR1
SCHEMBL6114329 0.80 SLC9A1 (0.45) CNR2CNR1HSD17B10KDM4ETSHR
SCHEMBL13690656 0.78 KDM4E (0.39) CNR2CNR1HSD17B10KDM4ETSHR
SCHEMBL4050608 0.77 CNR1 (0.52) CNR2CNR1HSD17B10KDM4ETSHR
SCHEMBL593602 0.77 LMNA (0.46) CNR2HSD17B10KDM4ETSHRSLC6A4
SCHEMBL592810 0.76 SCN5A (0.37) CNR2HSD17B10KDM4ETSHRCAMK2D
SCHEMBL1493630 0.75 AURKA (0.40) CNR2CNR1KDM4EHDAC1HDAC6
SCHEMBL1493643 0.74 CNR2 (0.48) CNR2CNR1HDAC1HDAC6
SCHEMBL4051371 0.74 CNR1 (0.51) CNR2CNR1PARP1

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-2011033225-A2 SUBSTITUTED 3-AMINO-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 WO disclosed