SCHEMBL14381927

SCHEMBL14381927

Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1C1=CCCC([N+](=O)[O-])=C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
POLB P06746 4/20 0.53
NR1H4 Q96RI1 8/20 0.52
GLS O94925 6/20 0.52
GLS2 Q9UI32 5/20 0.52
ATM Q13315 1/20 0.50
PPARA Q07869 1/20 0.50
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HSP90AA1 P07900 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL13846851 0.73 NR1H4 (0.64) NPC1RAB9APOLBNR1H4GLS
SCHEMBL13846866 0.70 NR1H4 (0.86) NPC1RAB9APOLBNR1H4GLS
SCHEMBL18545405 0.70 NR1H4 (0.86) NPC1RAB9APOLBNR1H4GLS
SCHEMBL13846877 0.67 NR1H4 (1.00) NPC1RAB9APOLBNR1H4GLS
SCHEMBL1249981 0.66 POLB (0.77) NPC1RAB9APOLBNR1H4GLS
SCHEMBL1249980 0.66 POLB (0.77) NPC1RAB9APOLBNR1H4GLS
SCHEMBL12892002 0.66 POLB (0.77) NPC1RAB9APOLBNR1H4GLS
SCHEMBL14325640 0.65 RAB9A (0.68) NPC1RAB9APOLBNR1H4GLS
SCHEMBL1250446 0.65 NR1H4 (0.70) NPC1RAB9APOLBNR1H4GLS
SCHEMBL12891998 0.65 NR1H4 (0.70) NPC1RAB9APOLBNR1H4GLS

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-1585541-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-11-14 EP disclosed