SCHEMBL8536509

SCHEMBL8536509

CC(C)(C)OC(=O)Nc1cc(C(=O)O)n(Cn2nnc3ccccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.44
NPC1 O15118 6/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 1/20 0.44
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
AMY1A P0DUB6 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
BRD4 O60885 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACSS2 Q9NR19 1/20 0.41
P2RY14 Q15391 1/20 0.41
POLB P06746 2/20 0.41
APAF1 O14727 1/20 0.41

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
SCHEMBL888267 0.75 HDAC3 (0.47) RAB9ANPC1LMNATSHRNPSR1
SCHEMBL4500892 0.73 P2RY14 (0.38) ACSS2P2RY14
SCHEMBL29964193 0.73 BCHE (0.49) RAB9ANPC1SMN1; SMN2GAAMGAM
SCHEMBL18803150 0.73 BCHE (0.49) RAB9ANPC1SMN1; SMN2GAAMGAM
SCHEMBL14441948 0.72 HDAC3 (0.44) RAB9ANPC1LMNATSHRNPSR1
SCHEMBL5285726 0.72 TP53 (0.59) RAB9ANPC1SMN1; SMN2GAAMGAM
SCHEMBL29964106 0.72 BCHE (0.47) RAB9ANPC1SMN1; SMN2HTTGAA
SCHEMBL12513701 0.72 CNR2 (0.42) ACSS2P2RY14
SCHEMBL7619637 0.71 DRD2 (0.40) P2RY14
SCHEMBL27349789 0.70 APAF1 (0.57) RAB9ALMNASMN1; SMN2GAAMGAM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0819133-A2 COVALENTLY LINKED OLIGONUCLEOTIDE MINOR GROOVE BINDER CONJUGATES EPOCH PHARMACEUTICALS, INC. (US) 1998-01-21 EP disclosed
WO-1996032496-A2 COVALENTLY LINKED OLIGONUCLEOTIDE MINOR GROOVE BINDER CONJUGATES MICROPROBE CORPORATION (US) 1996-10-17 WO disclosed