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SCHEMBL15085580

SCHEMBL15085580

O=C(NCC1CC1)c1cc(Cl)cc(Br)c1NC(=O)C1CC(c2c([N+](=O)[O-])cccc2S(=O)(=O)O)=NN1c1ncccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ CTSB P07858 2/20 0.33
▸ CTSL P07711 1/20 0.33
▸ NPY5R Q15761 3/20 0.32
▸ MALT1 Q9UDY8 2/20 0.32
▸ KCNH2 Q12809 4/20 0.31
▸ PRKCQ Q04759 1/20 0.31
▸ NPY1R P25929 1/20 0.31
▸ GRM5 P41594 1/20 0.30

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
SCHEMBL15085543 0.93 MALT1 (0.35) P2RX7F10CTSBCTSLNPY5R
SCHEMBL15085667 0.92 P2RX7 (0.35) P2RX7F10CTSBCTSLMALT1
SCHEMBL15085566 0.90 F10 (0.37) P2RX7F10CTSBCTSLNPY5R
SCHEMBL15085646 0.89 P2RX7 (0.34) P2RX7F10CTSBCTSLKCNH2
SCHEMBL15085639 0.89 P2RX7 (0.36) P2RX7MALT1KCNH2
SCHEMBL1148353 0.88 F10 (0.35) P2RX7F10CTSBCTSLNPY5R
SCHEMBL15085581 0.88 MALT1 (0.32) MALT1
SCHEMBL15085626 0.86 P2RX7 (0.38) P2RX7MALT1KCNH2
SCHEMBL15085544 0.84 P2RX7 (0.35) P2RX7F10CTSBCTSLMALT1
SCHEMBL15085550 0.84 P2RX7 (0.37) P2RX7MALT1KCNH2

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