SCHEMBL15085578

SCHEMBL15085578

O=C(NCC1CC1)c1cc(Cl)ccc1NC(=O)C1CC(c2cc([N+](=O)[O-])ccc2S(=O)(=O)O)=NN1c1ncccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
NPC1 O15118 3/20 0.35
P2RX7 Q99572 1/20 0.35
F10 P00742 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.33
SLC6A9 P48067 1/20 0.33
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
JAK2 O60674 1/20 0.33
GMNN O75496 1/20 0.33
EGFR P00533 1/20 0.33
TP53 P04637 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
SCHEMBL15085523 0.90 CNR2 (0.37) CNR2CNR1P2RX7F10MAPT
SCHEMBL15085646 0.89 P2RX7 (0.34) NPC1P2RX7F10ALDH1A1MEN1
SCHEMBL15085535 0.89 MALT1 (0.34) NPC1P2RX7ALDH1A1MEN1KMT2A
SCHEMBL15085566 0.89 F10 (0.37) CNR2CNR1P2RX7F10ALDH1A1
SCHEMBL1147804 0.87 ALDH1A1 (0.34) NPC1F10ALDH1A1MEN1KMT2A
SCHEMBL15085548 0.87 CNR2 (0.38) CNR2CNR1P2RX7HTTLMNA
SCHEMBL15085546 0.86 P2RX7 (0.40) CNR2CNR1P2RX7HTTLMNA
SCHEMBL1148365 0.84 F10 (0.36) CNR2CNR1NPC1P2RX7F10
SCHEMBL1148358 0.83 GPR17 (0.36) CNR2CNR1P2RX7F10MEN1
SCHEMBL15085529 0.83 P2RX7 (0.38) CNR2CNR1P2RX7F10SMN1; SMN2

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-8481744-B2 Process for producing anthranilamide compound ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-07-09 US disclosed