SCHEMBL21186256

SCHEMBL21186256

COc1ccnc(C(=O)Nc2nc3ccc(Oc4cccc(F)c4)cc3s2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.53
NPC1 O15118 9/20 0.52
RAB9A P51151 9/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
MET P08581 1/20 0.49
MAPT P10636 5/20 0.49
POLB P06746 3/20 0.49
HTT P42858 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HPGDS O60760 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
CSNK1D P48730 1/20 0.47
PKM P14618 1/20 0.47
AGTR1 P30556 1/20 0.47
OPRK1 P41145 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
SCHEMBL21186151 0.93 NPC1 (0.54) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL21186101 0.92 NPC1 (0.60) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL21186156 0.91 MAPT (0.59) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL21186104 0.90 DCLK1 (0.54) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL21186158 0.89 SCD (0.51) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL21186167 0.89 NPC1 (0.54) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL21186183 0.89 NPC1 (0.54) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL21186043 0.88 SCD (0.59) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL21186130 0.87 NPC1 (0.52) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL21186154 0.87 MET (0.56) SCDNPC1RAB9AKMT2AMEN1

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