SCHEMBL17801779

SCHEMBL17801779

Cc1cc(C)c(S(=O)(=O)NCC(F)(F)F)cc1-c1ccc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.43
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
PIK3CA P42336 2/20 0.39
PIK3CG P48736 1/20 0.39
LMNA P02545 2/20 0.38
PIK3CD O00329 1/20 0.38
PIP5K1C O60331 1/20 0.38
PI4KA P42356 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
ABL1 P00519 3/20 0.36
ALDH1A1 P00352 3/20 0.36
IDH2 P48735 3/20 0.36
HPGD P15428 2/20 0.36
RORC P51449 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL17801724 0.78 NPC1 (0.44) MAPTNPC1RAB9APIK3CAPIK3CG
SCHEMBL17812976 0.76 NPC1 (0.42) MAPTNPC1RAB9APIK3CAPIK3CG
SCHEMBL17317881 0.73 MAPT (0.38) MAPTPOLBLMNAALDH1A1IDH2
SCHEMBL17801767 0.72 NPC1 (0.53) MAPTNPC1RAB9APOLBPIK3CA
SCHEMBL17801753 0.71 NPC1 (0.42) MAPTNPC1RAB9APIK3CAPIK3CG
SCHEMBL17801728 0.70 SMN1; SMN2 (0.49) MAPTNPC1RAB9APIK3CAPIK3CG
SCHEMBL17317980 0.70 MAPT (0.37) MAPTPOLBLMNAALDH1A1IDH2
SCHEMBL17801780 0.70 NPC1 (0.41) MAPTNPC1RAB9APIK3CAPIK3CG
SCHEMBL17317943 0.69 MAPT (0.37) MAPTPOLBLMNAALDH1A1IDH2
SCHEMBL17801754 0.68 NPC1 (0.59) MAPTNPC1RAB9APOLBPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227283-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed