SCHEMBL6204077

SCHEMBL6204077

O=C(CC(c1ccc(Cl)cc1)c1cccnn1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.50
GAA P10253 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
PDPK1 O15530 1/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
FFAR2 O15552 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
LMNA P02545 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL6201493 0.76 LMNA (0.46) MGAMGAASIMGAM2KMT2A
SCHEMBL28731474 0.74 L3MBTL1 (0.64) MGAMGAASIMGAM2PDPK1
SCHEMBL6201073 0.73 CYP19A1 (0.53) MGAMGAASIMGAM2PDPK1
SCHEMBL6204074 0.73 MDM2 (0.41) FFAR2TSHR
SCHEMBL26820603 0.72 MGAM (0.53) MGAMGAASIMGAM2PDPK1
SCHEMBL29110671 0.72 MGAM (0.53) MGAMGAASIMGAM2PDPK1
SCHEMBL7821921 0.71 POLB (0.77) MGAMGAASIMGAM2PDPK1
SCHEMBL15075815 0.71 POLB (0.77) MGAMGAASIMGAM2PDPK1
SCHEMBL15076001 0.71 POLB (0.59) MGAMGAASIMGAM2PDPK1
SCHEMBL15075993 0.71 POLB (0.59) MGAMGAASIMGAM2PDPK1

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-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed