SCHEMBL2655261

SCHEMBL2655261

Nc1nc(CCC(=O)O)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.68
GABRB2 P47870 1/20 0.68
HSD17B10 Q99714 1/20 0.68
NOS1 P29475 1/20 0.54
AOC3 Q16853 1/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HDAC1 Q13547 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
NPC1 O15118 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7380564 0.89 GABRA5 (0.64) GABRA5GABRB2HSD17B10NOS1AOC3
Hydrochloric Acid SCHEMBL7998411 0.88 GABRA5 (0.62) GABRA5GABRB2HSD17B10NOS1AOC3
Hydrochloric Acid SCHEMBL2919667 0.84 GABRA5 (0.56) GABRA5GABRB2HSD17B10NOS1AOC3
SCHEMBL909845 0.81 HSD17B10 (1.00) GABRA5GABRB2HSD17B10NOS1RAB9A
SCHEMBL27527998 0.80 GABRA5 (0.51) GABRA5GABRB2HSD17B10NOS1AOC3
Hydrochloric Acid SCHEMBL9694699 0.79 GABRA5 (0.96) GABRA5GABRB2HSD17B10NOS1AOC3
SCHEMBL9864403 0.79 HSD17B10 (0.96) GABRA5GABRB2HSD17B10NOS1RAB9A
Hydrochloric Acid SCHEMBL1631420 0.78 GABRA5 (0.50) GABRA5GABRB2HSD17B10NOS1AOC3
SCHEMBL8044281 0.78 GABRA5 (0.41) GABRA5GABRB2HSD17B10HDAC1HDAC6
SCHEMBL8538449 0.78 MAPT (0.54) RAB9AMAPTSMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689392-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2006-08-16 EP disclosed
WO-2005049019-A1 N-HETEROARYL INDOLE CARBOXAMIDES AND ANALOGUES THEREOF, FOR USE AS GLUCOKINASE ACTIVATORS IN THE TREATMENT OF DIABETES NOVO NORDISK A/S (DK) 2005-06-02 WO disclosed
EP-1261611-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-12-04 EP disclosed
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 WO disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed