SCHEMBL5186223

SCHEMBL5186223

NS(=O)(=O)c1ccccc1Nc1cnc2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
LMNA P02545 1/20 0.48
CYP2C9 P11712 1/20 0.48
CA2 P00918 9/20 0.47
CA1 P00915 8/20 0.47
CA9 Q16790 5/20 0.47
CA12 O43570 3/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MAPK10 P53779 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL11343230 0.78 PDGFRB (0.61) PDGFRBPDGFRALMNACYP2C9NPC1
SCHEMBL435125 0.77 PDGFRB (0.64) PDGFRBPDGFRALMNACYP2C9CA2
SCHEMBL29354931 0.77 PDGFRB (0.64) PDGFRBPDGFRALMNACYP2C9CA2
SCHEMBL7913605 0.76 PDGFRB (0.59) PDGFRBPDGFRALMNACYP2C9NPC1
SCHEMBL15212564 0.75 CA2 (0.49) PDGFRALMNACA2CA1CA9
SCHEMBL1857786 0.73 PDGFRB (0.59) PDGFRBPDGFRALMNACYP2C9NPC1
SCHEMBL1575609 0.72 EPHB4 (0.52) LMNACA2CA1CA9CA12
SCHEMBL5128693 0.72 CA2 (0.49) LMNACYP2C9CA2CA1CA9
SCHEMBL11261266 0.71 ALOX5AP (0.51) CA2CA1CA9CA12NPC1
SCHEMBL1385573 0.71 LMNA (0.66) PDGFRBPDGFRALMNACYP2C9KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3102570-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES Syngenta Participations AG (CH) 2016-12-14 EP disclosed
WO-2015117563-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-08-13 WO disclosed
EP-1802611-A2 HETEROCYCLIC DIAMIDE INSECTICIDAL AGENTS Syngeta Participations AG (CH) 2007-07-04 EP disclosed
WO-2006040113-A2 HETEROCYCLIC DIAMIDE INSECTICIDAL AGENTS SYNGENTA PARTICIPATIONS AG (CH) 2006-04-20 WO disclosed