SCHEMBL21186237

SCHEMBL21186237

Nc1nc2c(-c3ccccc3Cl)cc(Oc3ccc(F)cc3Cl)cc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
PDE10A Q9Y233 2/20 0.39
AXL P30530 1/20 0.36
GFER P55789 1/20 0.36
MAPT P10636 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A4 P31645 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD11B1 P28845 1/20 0.34
SCN9A Q15858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL21186395 0.90 MAPT (0.38) ALDH1A1LMNAPDE10AAXLGFER
SCHEMBL21186387 0.81 CYP3A4 (0.48) ALDH1A1LMNAPDE10AAXLGFER
SCHEMBL21186404 0.80 AXL (0.47) ALDH1A1LMNAPDE10AAXLGFER
SCHEMBL21186391 0.76 AXL (0.60) ALDH1A1LMNAAXLGFERMAPT
SCHEMBL21177697 0.76 LMNA (0.46) ALDH1A1LMNAPDE10AMAPTSMN1; SMN2
SCHEMBL21186017 0.75 SLC6A4 (0.42) LMNAMAPTSLC6A2SLC6A3SLC6A4
SCHEMBL21186400 0.71 AXL (0.47) AXLGFERMAPTSLC6A2SLC6A3
SCHEMBL21186235 0.70 AXL (0.49) ALDH1A1LMNAAXLGFERMAPT
SCHEMBL21186227 0.70 PLA2G7 (0.49) MAPTSLC6A2SLC6A3SLC6A4SMN1; SMN2
SCHEMBL11109859 0.69 RAB9A (0.68) ALDH1A1LMNAAXLGFERMAPT

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