SCHEMBL16634744

SCHEMBL16634744

O=C(O)c1ccc(-n2c(=O)[nH]c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
AURKA O14965 3/20 0.52
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TNKS O95271 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DAO P14920 1/20 0.49
GSK3B P49841 2/20 0.48
HSP90AA1 P07900 4/20 0.48
KDM4E B2RXH2 1/20 0.47
MAT2A P31153 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 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
SCHEMBL29092672 0.86 SMN1; SMN2 (0.51) L3MBTL1AURKALMNAMEN1KMT2A
SCHEMBL29367625 0.85 LMNA (0.65) L3MBTL1AURKALMNAMEN1KMT2A
SCHEMBL699273 0.85 LMNA (0.65) L3MBTL1AURKALMNAMEN1KMT2A
SCHEMBL6840347 0.83 AURKA (0.64) L3MBTL1NPSR1AURKALMNAMEN1
SCHEMBL28492436 0.82 SMN1; SMN2 (0.57) NPSR1LMNAMEN1KMT2ATNKS
SCHEMBL16657405 0.80 TNKS (0.51) L3MBTL1NPSR1AURKALMNAMEN1
SCHEMBL16634710 0.80 DAO (0.54) L3MBTL1NPSR1AURKALMNAMEN1
SCHEMBL21463671 0.79 DAO (0.50) L3MBTL1AURKALMNAMEN1KMT2A
SCHEMBL2256170 0.79 SMN1; SMN2 (0.78) NPSR1LMNAMEN1KMT2ANPC1
SCHEMBL25698297 0.79 HSD11B1 (0.52) L3MBTL1AURKALMNAMEN1KMT2A

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
WO-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed