SCHEMBL21186129

SCHEMBL21186129

COc1ccnc(C(=O)Nc2nc3ccc(Cc4ccccc4Cl)cc3s2)c1O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 9/20 0.54
MAPT P10636 5/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
OPRK1 P41145 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 5/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL21186128 0.90 MAPT (0.48) CSNK1DMAPTNPC1RAB9AOPRK1
SCHEMBL21186152 0.89 SCD (0.52) CSNK1DMAPTNPC1RAB9AOPRK1
SCHEMBL21186153 0.84 GHSR (0.51) CSNK1DMAPTNPC1RAB9AOPRK1
SCHEMBL21186006 0.83 CSNK1D (0.55) CSNK1DMAPTNPC1RAB9AOPRK1
SCHEMBL21186026 0.83 PIK3CA (0.49) CSNK1DMAPTNPC1RAB9AOPRK1
SCHEMBL23719817 0.81 CSNK1D (0.47) CSNK1DMAPTNPC1RAB9AOPRK1
SCHEMBL21186392 0.81 SCD (0.67) CSNK1DMAPTNPC1RAB9AOPRK1
SCHEMBL30510928 0.81 RAB9A (0.56) CSNK1DMAPTNPC1RAB9AOPRK1
SCHEMBL23719993 0.81 RAB9A (0.56) CSNK1DMAPTNPC1RAB9AOPRK1
SCHEMBL21186165 0.80 NPC1 (0.64) MAPTNPC1RAB9AHTTKMT2A

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