SCHEMBL21186158

SCHEMBL21186158

COc1ccnc(C(=O)Nc2nc3ccc(Oc4cccc(F)c4)cc3s2)c1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.51
NPC1 O15118 9/20 0.50
RAB9A P51151 9/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MET P08581 1/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 3/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
DYRK1A Q13627 1/20 0.46
HPGDS O60760 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL21186179 0.93 SCD (0.52) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL21186251 0.92 NPC1 (0.57) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL21186049 0.91 POLB (0.56) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL21186132 0.90 DCLK1 (0.51) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL21186256 0.89 SCD (0.53) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL21186005 0.88 NPC1 (0.50) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL21186030 0.86 NPC1 (0.49) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL21186029 0.85 NPC1 (0.50) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL21186173 0.85 MET (0.51) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL21186041 0.84 MET (0.49) SCDNPC1RAB9AMEN1KMT2A

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