SCHEMBL11279490

SCHEMBL11279490

Cn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
NPC1 O15118 9/20 0.77
KDM4E B2RXH2 6/20 0.77
MAPT P10636 5/20 0.77
ALDH1A1 P00352 5/20 0.77
LMNA P02545 4/20 0.77
HTT P42858 3/20 0.77
USP2 O75604 3/20 0.77
TP53 P04637 2/20 0.77
HSD17B10 Q99714 1/20 0.75
XBP1 P17861 4/20 0.73
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
NOD1 Q9Y239 3/20 0.73
TNF P01375 2/20 0.73
NOD2 Q9HC29 2/20 0.73
PKM P14618 1/20 0.73
MITF O75030 2/20 0.71
NPSR1 Q6W5P4 2/20 0.70

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
SCHEMBL25720375 0.87 RAB9A (1.00) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL10676012 0.83 RAB9A (0.71) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL1777363 0.81 RAB9A (0.68) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL10668803 0.81 HSD17B10 (0.76) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL10679811 0.81 NPC1 (0.78) RAB9ASMN1; SMN2NPC1KDM4EMAPT
Pyridine SCHEMBL10677617 0.79 NPC1 (0.69) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL24054803 0.78 RAB9A (1.00) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL10672530 0.78 NPC1 (0.77) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL30227674 0.78 NPC1 (0.77) RAB9ASMN1; SMN2NPC1KDM4EMAPT
SCHEMBL10669253 0.77 RAB9A (0.69) RAB9ASMN1; SMN2NPC1KDM4EMAPT

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
EP-0059698-A1 Heterocyclic carboxamides, compositions containing such compounds, processes for their preparation and methods of treatment therewith AB LEO (SE) 1982-09-08 EP disclosed