SCHEMBL15085548

SCHEMBL15085548

O=C(NCC1CC1)c1cc(Cl)ccc1NC(=O)C1CC(c2ncccc2S(=O)(=O)O)=NN1c1ncccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.38
CNR1 P21554 2/20 0.38
P2RX7 Q99572 1/20 0.38
MALT1 Q9UDY8 1/20 0.36
CHRM1 P11229 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
SLC6A9 P48067 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KCNH2 Q12809 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
SCHEMBL15085546 0.89 P2RX7 (0.40) CNR2CNR1P2RX7MALT1CHRM1
SCHEMBL15085639 0.88 P2RX7 (0.36) CNR2P2RX7MALT1CHRM1KCNH2
SCHEMBL15085620 0.88 MALT1 (0.37) P2RX7MALT1CHRM1HTT
SCHEMBL15085523 0.88 CNR2 (0.37) CNR2CNR1P2RX7MALT1CHRM1
SCHEMBL15085566 0.88 F10 (0.37) CNR2CNR1P2RX7MALT1CHRM1
SCHEMBL15085529 0.87 P2RX7 (0.38) CNR2CNR1P2RX7MALT1CHRM1
SCHEMBL15085578 0.87 CNR2 (0.35) CNR2CNR1P2RX7MALT1CYP2C9
SCHEMBL15189809 0.86 CNR2 (0.42) CNR2CNR1P2RX7MALT1CHRM1
SCHEMBL15085552 0.86 F10 (0.37) MALT1HTTTRPV1
SCHEMBL590527 0.85 CNR2 (0.43) CNR2CNR1P2RX7MALT1CHRM1

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