SCHEMBL15909062

SCHEMBL15909062

O=C(Cc1ccc(C(F)(F)F)cc1)NCc1cc(=O)n2nc(C(Cl)(Cl)Cl)c(-c3cccs3)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TRPV1 Q8NER1 4/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
HDAC1 Q13547 3/20 0.36
KDM4E B2RXH2 2/20 0.34
P2RX7 Q99572 1/20 0.34
BACE1 P56817 1/20 0.34
FFAR2 O15552 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK8 P45983 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
SCHEMBL15909005 0.94 HDAC1 (0.40) NPC1RAB9ATRPV1LMNAPOLB
SCHEMBL15909074 0.90 NPC1 (0.39) NPC1RAB9ATRPV1LMNAPOLB
SCHEMBL15909002 0.89 P2RX7 (0.40) NPC1RAB9ATRPV1LMNAPOLB
SCHEMBL15926328 0.85 MAPK14 (0.31)
SCHEMBL15926359 0.83 KDM4E (0.35) RAB9ALMNAPOLBKDM4E
SCHEMBL1278731 0.81 PDE2A (0.44) TRPV1LMNAPOLBP2RX7BACE1
SCHEMBL15926318 0.79 MAPK14 (0.32) KDM4E
SCHEMBL15909598 0.77 LMNA (0.43) TRPV1LMNAPOLBP2RX7BACE1
SCHEMBL15926361 0.76 HCAR2 (0.35) NPC1RAB9AKDM4EKMT2A
SCHEMBL1278817 0.76 SMN1; SMN2 (0.39) LMNAKDM4EMEN1KMT2A

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