SCHEMBL5608450

SCHEMBL5608450

Nc1ccc2c(c1)C(=O)[N]N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PTPRC P08575 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G1B P04054 1/20 0.38

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
SCHEMBL5819648 0.76 ESR1 (0.43) PTPRCMAPTPDPK1CA9CA12
SCHEMBL5817820 0.76 CES1 (0.48) MEN1KMT2ALMNAS100A4MAPT
SCHEMBL9037526 0.68 RET (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL2970333 0.66 NPC1 (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL7223095 0.66 NPC1 (0.50) ALDH1A1RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL1853800 0.65 TGM2 (0.60) ALDH1A1RETFLT3ALKPDPK1
SCHEMBL2529842 0.65 NPC1 (0.41) ALDH1A1RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL5822740 0.64 MAOA (0.41) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL4426047 0.64 TGM2 (0.38) KDM4ECA9PARP1
SCHEMBL2062046 0.63 RET (0.41) ALDH1A1RAB9ANPC1SMN1; SMN2TDP1

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-1797042-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-20 EP disclosed
WO-2006034804-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-06 WO disclosed