SCHEMBL21186283

SCHEMBL21186283

COc1ccnc(C(=O)Nc2nc3ccc(C(=O)c4ccccc4)cc3s2)c1O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 16/20 0.63
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
NTRK1 P04629 1/20 0.48

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
SCHEMBL21186048 0.93 SCD (0.52) SCDHTTKDM4EL3MBTL1TP53
SCHEMBL21186033 0.91 SCD (0.53) SCDHTTKDM4EL3MBTL1TP53
SCHEMBL21186122 0.89 SCD (0.52) SCDHTTKDM4EL3MBTL1TP53
SCHEMBL21186174 0.89 SCD (0.61) SCDHTTKDM4EL3MBTL1TP53
SCHEMBL21186327 0.88 SCD (0.51) SCDHTTKDM4EL3MBTL1TP53
SCHEMBL21186153 0.88 GHSR (0.51) SCDHTTKDM4EL3MBTL1TP53
SCHEMBL21186067 0.87 SCD (0.65) SCDHTTKDM4EL3MBTL1MAPT
SCHEMBL21186112 0.86 SCD (0.56) SCDHTTKDM4EL3MBTL1TP53
SCHEMBL21186156 0.85 MAPT (0.59) SCDHTTKDM4ETP53MAPT
SCHEMBL21186165 0.84 NPC1 (0.64) SCDHTTKDM4ETP53MAPT

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