SCHEMBL3389952

SCHEMBL3389952

CCOc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.52
SLC16A3 O15427 1/20 0.52
SLC16A1 P53985 1/20 0.52
PTGS2 P35354 3/20 0.49
FABP3 P05413 2/20 0.49
FABP4 P15090 2/20 0.49
SIGMAR1 Q99720 1/20 0.48
BCL2 P10415 2/20 0.48
MDM2 Q00987 2/20 0.48
MCL1 Q07820 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RPA1 P27694 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PPP1CA P62136 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL3389753 0.90 NPC1 (0.57) PTGS2FABP3FABP4SIGMAR1BCL2
SCHEMBL6344046 0.81 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL17156386 0.81 CACNA1B (0.53) MALT1SLC16A3PTGS2
SCHEMBL29074646 0.80 L3MBTL1 (0.54) MALT1SLC16A3SLC16A1PTGS2FABP3
SCHEMBL25397697 0.79 L3MBTL1 (0.62) MALT1SLC16A3SLC16A1FABP3FABP4
SCHEMBL7156590 0.78 MALT1 (0.58) MALT1SLC16A3SLC16A1FABP3FABP4
SCHEMBL5698704 0.77 NPC1 (0.78) MALT1SLC16A3SLC16A1PTGS2L3MBTL1
SCHEMBL10504777 0.76 NPC1 (0.54) FABP3FABP4SIGMAR1BCL2MDM2
SCHEMBL11437628 0.76 L3MBTL1 (0.55) MALT1SLC16A3SLC16A1FABP3FABP4
SCHEMBL5150511 0.76 MDM2 (0.56) PTGS2FABP3FABP4BCL2MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed