SCHEMBL21186148

SCHEMBL21186148

COc1ccnc(C(=O)Nc2nc3ccc(N(C)c4ccc(F)cc4Cl)cc3s2)c1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
AGTR1 P30556 1/20 0.43
OPRK1 P41145 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SCD O00767 1/20 0.42
HCRTR1 O43613 2/20 0.42
LRRK2 Q5S007 1/20 0.42
CSNK1D P48730 1/20 0.42
DCLK1 O15075 1/20 0.42
FES P07332 1/20 0.42
PIM1 P11309 1/20 0.42
CDK2 P24941 1/20 0.42

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
SCHEMBL21186099 0.90 MAPT (0.47) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL21186005 0.84 NPC1 (0.50) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL21186138 0.82 NPC1 (0.48) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL21186137 0.81 MAPK1 (0.48) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL21186251 0.80 NPC1 (0.57) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL23719817 0.80 CSNK1D (0.47) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL21186158 0.78 SCD (0.51) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL21186173 0.78 MET (0.51) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL21186179 0.78 SCD (0.52) MAPTSMN1; SMN2NPC1RAB9AHTT
SCHEMBL21186042 0.78 KMT2A (0.44) MAPTSMN1; SMN2NPC1RAB9AHTT

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