SCHEMBL17898588

SCHEMBL17898588

CC[S+]([O-])c1c(C(C)=O)ncc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
MAOA P21397 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 4/20 0.34
GPR3 P46089 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
MAPK1 P28482 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.33
TRPM8 Q7Z2W7 3/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL15782859 0.76 NPC1 (0.43) NPC1MAOATDP1KDM4EGPR3
SCHEMBL17891982 0.72 MAPT (0.38) NPC1MAOATDP1KDM4EGPR3
SCHEMBL17891984 0.72 KMT2A (0.40) NPC1MAOATDP1KDM4EGPR3
SCHEMBL8882478 0.68 FDPS (0.43) NPC1TDP1KDM4EALDH1A1HPGD
SCHEMBL21727267 0.65 ALDH1A1 (0.32) TDP1ALDH1A1HPGDMAPK1LMNA
SCHEMBL21727255 0.65 ALDH1A1 (0.32) KDM4EALDH1A1MAPT
SCHEMBL27402471 0.64 TDP1 (0.46) TDP1MAPK1TSHR
SCHEMBL2015417 0.64 HIF1A (0.43) NPC1MAOATDP1KDM4EALDH1A1
SCHEMBL13310735 0.64 PIN1 (0.43) NPC1MAOAKDM4EALDH1A1HPGD
SCHEMBL8789401 0.64 POLB (0.44) NPC1KDM4EALDH1A1HPGDMAPK1

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-2016107742-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-07-07 WO disclosed