SCHEMBL17468797

SCHEMBL17468797

C=COC(=O)N1Cc2ccccc2OC(c2ccc(SC)cc2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.33
MAPT P10636 3/20 0.31
NPC1 O15118 2/20 0.31
MAOB P27338 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
ABHD6 Q9BV23 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MAPK1 P28482 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 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
SCHEMBL17468913 0.88 CYP19A1 (0.38) LTA4HMAPTNPC1MAOBRAB9A
SCHEMBL17459385 0.86 TAS1R3 (0.38) LTA4HKMT2ANAMPT
SCHEMBL17469012 0.84 NAMPT (0.41) ABHD6NAMPT
SCHEMBL17469136 0.82 SLC6A2 (0.32) NPC1RAB9AKMT2ASLC6A4SLC6A2
SCHEMBL17468799 0.81 ALDH1A1 (0.40) NPC1RAB9AALDH1A1SLC6A4SLC6A2
SCHEMBL17468800 0.80 ALDH1A1 (0.35) NPC1MAOBRAB9AALDH1A1ABHD6
SCHEMBL17469009 0.78 ABHD6 (0.34) LTA4HMAPTALDH1A1ABHD6
SCHEMBL17469002 0.78 ABHD6 (0.36) LTA4HMAPTNPC1RAB9AALDH1A1
SCHEMBL17469006 0.76 RIPK1 (0.35) KMT2ANAMPT
SCHEMBL17459478 0.75 SLC22A12 (0.34) MAPTALDH1A1

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
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed