SCHEMBL15909598

SCHEMBL15909598

O=C(Cc1ccc(C(F)(F)F)cc1)NCc1cc(=O)n2nc(C(F)(F)F)c(-c3cccc4ccccc34)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
PDE2A O00408 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
DGAT2 Q96PD7 3/20 0.38
BACE1 P56817 2/20 0.37
BACE2 Q9Y5Z0 1/20 0.36
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
PTGES O14684 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
P2RX7 Q99572 1/20 0.35
MCHR1 Q99705 1/20 0.35
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
P2RY14 Q15391 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL1278731 0.87 PDE2A (0.44) LMNAPOLBPDE2ADGAT2BACE1
SCHEMBL15926264 0.85 LMNA (0.37) LMNAPDE2AKCNQ3KCNQ2
SCHEMBL15926314 0.85 KCNQ3 (0.36) LMNAPOLBPDE2AHDAC6TRPV1
SCHEMBL15909005 0.83 HDAC1 (0.40) LMNAPOLBPDE2ABACE1BACE2
SCHEMBL1278758 0.79 KCNQ3 (0.49) KCNQ3KCNQ2
SCHEMBL15909062 0.77 NPC1 (0.38) LMNAPOLBBACE1TRPV1P2RX7
SCHEMBL1614661 0.77 LMNA (0.36) LMNAPOLBKCNQ3KCNQ2SMN1; SMN2
SCHEMBL1614928 0.76 KCNQ3 (0.36) LMNAPOLBPDE2APTGESTRPV1
SCHEMBL15909074 0.75 NPC1 (0.39) LMNAPOLBBACE1TRPV1P2RX7
SCHEMBL15909002 0.75 P2RX7 (0.40) LMNAPOLBBACE1TRPV1P2RX7

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-8796285-B2 Pyrazolo [1,5-a]-pyrimidones derivatives and pharmaceutical compositions and uses thereof HEBEI MEDICAL UNIVERSITY (CN) 2014-08-05 US disclosed