SCHEMBL15085566

SCHEMBL15085566

O=C(NCC1CC1)c1cc(Cl)ccc1NC(=O)C1CC(c2c([N+](=O)[O-])cccc2S(=O)(=O)O)=NN1c1ncccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.37
CNR2 P34972 5/20 0.37
CNR1 P21554 2/20 0.37
P2RX7 Q99572 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
PPARG P37231 1/20 0.34
NPY5R Q15761 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM1 P11229 2/20 0.33
SLC6A9 P48067 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
POLB P06746 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 0.91 CNR2 (0.37) F10CNR2CNR1P2RX7MALT1
SCHEMBL15085543 0.90 MALT1 (0.35) F10P2RX7MALT1NPY5RCTSL
SCHEMBL15085580 0.90 P2RX7 (0.34) F10P2RX7MALT1NPY5RCTSL
SCHEMBL15085578 0.89 CNR2 (0.35) F10CNR2CNR1P2RX7MALT1
SCHEMBL15085548 0.88 CNR2 (0.38) CNR2CNR1P2RX7MALT1CHRM1
SCHEMBL15085565 0.87 F10 (0.34) F10MALT1PPARGALDH1A1SMN1; SMN2
SCHEMBL1148458 0.86 F10 (0.39) F10CNR2CNR1P2RX7PPARG
SCHEMBL15085546 0.84 P2RX7 (0.40) CNR2CNR1P2RX7MALT1CHRM1
SCHEMBL15189809 0.83 CNR2 (0.42) F10CNR2CNR1P2RX7MALT1
SCHEMBL15085529 0.83 P2RX7 (0.38) F10CNR2CNR1P2RX7MALT1

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