SCHEMBL15085523

SCHEMBL15085523

O=C(NCC1CC1)c1cc(Cl)ccc1NC(=O)C1CC(c2cccc(S(=O)(=O)O)c2[N+](=O)[O-])=NN1c1ncccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
P2RX7 Q99572 1/20 0.36
F10 P00742 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
CHRM1 P11229 5/20 0.33
SLC6A9 P48067 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 1/20 0.33
KCNH2 Q12809 2/20 0.32
CXCR3 P49682 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL15085566 0.91 F10 (0.37) CNR2CNR1P2RX7F10MALT1
SCHEMBL15085578 0.90 CNR2 (0.35) CNR2CNR1P2RX7F10MALT1
SCHEMBL15085667 0.89 P2RX7 (0.35) P2RX7F10MALT1CHRM1CHRM2
SCHEMBL15085544 0.89 P2RX7 (0.35) P2RX7F10MALT1CHRM1CHRM2
SCHEMBL15085548 0.88 CNR2 (0.38) CNR2CNR1P2RX7MALT1CHRM1
SCHEMBL15085595 0.87 F10 (0.34) F10MALT1
SCHEMBL15085546 0.87 P2RX7 (0.40) CNR2CNR1P2RX7MALT1CHRM1
SCHEMBL15189809 0.83 CNR2 (0.42) CNR2CNR1P2RX7F10MALT1
SCHEMBL15085529 0.83 P2RX7 (0.38) CNR2CNR1P2RX7F10MALT1
SCHEMBL1148458 0.83 F10 (0.39) CNR2CNR1P2RX7F10SLC6A9

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