SCHEMBL6846757

SCHEMBL6846757

Cc1c(C=O)n[nH]c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
HPGD P15428 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALPL P05186 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PLA2G10 O15496 1/20 0.39
BTK Q06187 1/20 0.39
AKT2 P31751 2/20 0.38
CHEK1 O14757 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DYRK1A Q13627 1/20 0.37

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
SCHEMBL27320867 0.79 HPGD (0.41) KDM4EHPGDALDH1A1HSD17B10TP53
SCHEMBL3543498 0.77 NOTUM (0.33) CHEK1
SCHEMBL3949727 0.76 KDM4E (0.44) KDM4EHPGDALDH1A1HSD17B10TP53
SCHEMBL873201 0.75 AKT2 (0.53) KDM4EHPGDALDH1A1HSD17B10TP53
SCHEMBL11362250 0.73 KDM4E (0.60) KDM4EHPGDALDH1A1HSD17B10TP53
SCHEMBL1548731 0.73 KDM4E (0.60) KDM4EHPGDALDH1A1HSD17B10TP53
SCHEMBL8684331 0.72 MAPK1 (0.63) KDM4EHPGDALDH1A1HSD17B10TP53
SCHEMBL19288778 0.72 KDM4E (0.44) KDM4EHPGDALDH1A1HSD17B10TP53
SCHEMBL570062 0.71 PIN1 (0.47) KDM4EHPGDALDH1A1HSD17B10TP53
SCHEMBL4961817 0.70 NPC1 (0.41) KDM4EHPGDALDH1A1HSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO disclosed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 EP disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 WO disclosed