SCHEMBL21186408

SCHEMBL21186408

COc1ccnc(C(=O)Nc2nc3ccc(Oc4ccccc4C(F)(F)F)cc3s2)c1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.49
SCD O00767 4/20 0.47
CSNK1D P48730 4/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
KDM4E B2RXH2 1/20 0.47
RAF1 P04049 2/20 0.47
BRAF P15056 2/20 0.47
KCNH2 Q12809 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HSD17B10 Q99714 1/20 0.45
NCS1 P62166 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL21186181 0.90 MET (0.51) METSCDCSNK1DNPC1RAB9A
SCHEMBL21186173 0.88 MET (0.51) METSCDCSNK1DNPC1RAB9A
SCHEMBL21186049 0.88 POLB (0.56) METSCDNPC1RAB9AKDM4E
SCHEMBL21186251 0.87 NPC1 (0.57) METSCDNPC1RAB9AKDM4E
SCHEMBL21186041 0.85 MET (0.49) METSCDCSNK1DNPC1RAB9A
SCHEMBL21186158 0.85 SCD (0.51) METSCDCSNK1DNPC1RAB9A
SCHEMBL21186139 0.84 RAF1 (0.51) METSCDCSNK1DNPC1RAB9A
SCHEMBL21186179 0.84 SCD (0.52) METSCDNPC1RAB9AKDM4E
SCHEMBL21186005 0.84 NPC1 (0.50) METSCDCSNK1DNPC1RAB9A
SCHEMBL21186030 0.83 NPC1 (0.49) METSCDNPC1RAB9AKDM4E

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-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed