SCHEMBL8894054

SCHEMBL8894054

COC(=O)Cc1cc(C[C@H](N)C(O)=S)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.39
DPP4 P27487 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
PGK1 P00558 1/20 0.32
USP2 O75604 2/20 0.32
RGS12 O14924 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
CASP1 P29466 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
SCHEMBL9051853 0.77 GAA (0.40) SMN1; SMN2GAAMEN1MAPTKMT2A
SCHEMBL10714231 0.74 GAA (0.42) SMN1; SMN2GAAMEN1MAPTKMT2A
SCHEMBL9053297 0.74 GAA (0.40) SMN1; SMN2GAAMEN1MAPTKMT2A
SCHEMBL8894401 0.73 USP2 (0.40) SLC7A5DPP4HDAC8MEN1MAPT
SCHEMBL8261931 0.73 PDGFRB (0.43) SMN1; SMN2GAAMEN1MAPTKMT2A
SCHEMBL8895875 0.71 KDM4E (0.35) DPP4SMN1; SMN2GAAMEN1MAPT
SCHEMBL17466148 0.70 SMN1; SMN2 (0.43) SMN1; SMN2GAAMEN1MAPTKMT2A
SCHEMBL9051850 0.70 GAA (0.41) SMN1; SMN2GAAMEN1MAPTKMT2A
SCHEMBL16069541 0.69 MTNR1A (0.48) SMN1; SMN2MAPTKMT2AKDM4EALDH1A1
SCHEMBL14810800 0.69 SMN1; SMN2 (0.42) SMN1; SMN2GAAMEN1MAPTKMT2A

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-1997026248-A1 SUBSTITUTED N-ARYL NITROGEN HETEROCYCLIC COMPOUNDS AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-24 WO disclosed