SCHEMBL21186128

SCHEMBL21186128

COc1ccnc(C(=O)Nc2nc3ccc(Cc4ccc(F)cc4Cl)cc3s2)c1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
CSNK1D P48730 3/20 0.48
TP53 P04637 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
AGTR1 P30556 1/20 0.46
OPRK1 P41145 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SCD O00767 1/20 0.44
LRRK2 Q5S007 1/20 0.44
HCRTR1 O43613 1/20 0.44
PTGES O14684 1/20 0.44

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
SCHEMBL21186129 0.90 CSNK1D (0.54) MAPTCSNK1DTP53NPC1RAB9A
SCHEMBL21186106 0.84 NPC1 (0.52) MAPTCSNK1DTP53SMN1; SMN2NPC1
SCHEMBL30098848 0.84 NPC1 (0.52) MAPTCSNK1DTP53SMN1; SMN2NPC1
SCHEMBL21186152 0.83 SCD (0.52) MAPTCSNK1DTP53SMN1; SMN2NPC1
SCHEMBL21186099 0.82 MAPT (0.47) MAPTCSNK1DTP53SMN1; SMN2NPC1
SCHEMBL21186116 0.81 KMT2A (0.50) MAPTCSNK1DTP53SMN1; SMN2NPC1
SCHEMBL21186101 0.80 NPC1 (0.60) MAPTTP53SMN1; SMN2NPC1RAB9A
SCHEMBL21186177 0.79 MAPT (0.49) MAPTCSNK1DTP53SMN1; SMN2NPC1
SCHEMBL21186167 0.78 NPC1 (0.54) MAPTCSNK1DTP53SMN1; SMN2NPC1
SCHEMBL21186183 0.78 NPC1 (0.54) MAPTCSNK1DTP53SMN1; SMN2NPC1

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