SCHEMBL15085550

SCHEMBL15085550

O=C(NCC1CC1)c1cc(Cl)cc(Br)c1NC(=O)C1CC(c2cc(S(=O)(=O)O)ccn2)=NN1c1ncccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
MALT1 Q9UDY8 3/20 0.34
KCNH2 Q12809 4/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 1/20 0.32
GSK3B P49841 1/20 0.32
KIF18A Q8NI77 3/20 0.31
CHRM1 P11229 4/20 0.31
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM3 P20309 2/20 0.31
CHRM5 P08912 1/20 0.31
CACNA1I Q9P0X4 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
SCHEMBL15085598 0.92 MALT1 (0.38) P2RX7MALT1LMNASMN1; SMN2KIF18A
SCHEMBL15085626 0.89 P2RX7 (0.38) P2RX7MALT1KCNH2LMNACHRM1
SCHEMBL15085529 0.89 P2RX7 (0.38) P2RX7MALT1LMNASMN1; SMN2CHRM1
SCHEMBL15085639 0.88 P2RX7 (0.36) P2RX7MALT1KCNH2CHRM1CACNA1I
SCHEMBL15085630 0.87 IDO1 (0.33) MALT1
SCHEMBL591394 0.85 P2RX7 (0.43) P2RX7MALT1KCNH2CHRM1CACNA1I
SCHEMBL591109 0.84 P2RX7 (0.41) P2RX7MALT1KCNH2CHRM1CACNA1I
SCHEMBL591114 0.84 P2RX7 (0.39) P2RX7MALT1KCNH2CHRM1
SCHEMBL15085580 0.84 P2RX7 (0.34) P2RX7MALT1KCNH2
SCHEMBL1148499 0.84 P2RX7 (0.36) P2RX7KCNH2

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