SCHEMBL21186181

SCHEMBL21186181

COc1ccnc(C(=O)Nc2nc3ccc(Oc4ccccc4C(F)(F)F)cc3s2)c1O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.51
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SCD O00767 5/20 0.49
KMT2A Q03164 4/20 0.49
CSNK1D P48730 4/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 1/20 0.49
RAF1 P04049 2/20 0.49
BRAF P15056 2/20 0.49
KCNH2 Q12809 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NCS1 P62166 1/20 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
SCHEMBL21186154 0.90 MET (0.56) METNPC1RAB9ASCDKMT2A
SCHEMBL31683932 0.90 CSNK1D (0.56) METNPC1RAB9ASCDKMT2A
SCHEMBL23719995 0.90 CSNK1D (0.56) METNPC1RAB9ASCDKMT2A
SCHEMBL21186408 0.90 MET (0.49) METNPC1RAB9ASCDKMT2A
SCHEMBL21186252 0.89 NPC1 (0.58) METNPC1RAB9ASCDKMT2A
SCHEMBL21186134 0.88 MET (0.54) METNPC1RAB9ASCDKMT2A
SCHEMBL21186012 0.87 RAF1 (0.57) METNPC1RAB9ASCDKMT2A
SCHEMBL21186006 0.87 CSNK1D (0.55) METNPC1RAB9ASCDKMT2A
SCHEMBL21186156 0.87 MAPT (0.59) METNPC1RAB9ASCDKMT2A
SCHEMBL23720017 0.87 PDE4B (0.54) METNPC1RAB9ASCDKMT2A

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