SCHEMBL3431052

SCHEMBL3431052

O=C(O)n1nc(-c2ccc(F)cc2Cl)cc1CBr

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.37
GRM2 Q14416 1/20 0.37
EIF4E P06730 1/20 0.35
HSD11B1 P28845 1/20 0.34
TP53 P04637 2/20 0.34
WDR5 P61964 2/20 0.34
FABP3 P05413 1/20 0.33
P2RX7 Q99572 3/20 0.33
GRM5 P41594 1/20 0.33
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 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
SCHEMBL3397017 0.86 PKM (0.37) FABP3KDM4E
SCHEMBL3394445 0.83 ALPL (0.43) TP53FABP3SCN9AKDM4EMEN1
SCHEMBL13426459 0.83 NR3C2 (0.34) CNR1WDR5P2RX7
SCHEMBL3395630 0.80 HDAC6 (0.44) GRM5KDM4EMEN1ALDH1A1MAPT
SCHEMBL3397709 0.76 GRM5 (0.41) GRM5
SCHEMBL3395670 0.71 SORT1 (0.32) GRM5ALDH1A1MAPTHPGD
SCHEMBL13425449 0.70 CNR1 (0.42) CNR1ALDH1A1MAPTDPP4
SCHEMBL3394902 0.68 GSK3B (0.39)
SCHEMBL13425827 0.68 HSP90AA1 (0.38) CNR1EIF4EMEN1KMT2A
SCHEMBL13425863 0.67 NR3C2 (0.39) CNR1HSD11B1WDR5P2RX7KDM4E

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed