SCHEMBL15543138

SCHEMBL15543138

O=[N+]([O-])c1ccc(Cn2nnc(-c3cnn(-c4ccccc4)c3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.51
RAB9A P51151 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PTGS2 P35354 2/20 0.41
LMNA P02545 1/20 0.40
THRB P10828 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
SCHEMBL15559658 0.89 MAPT (0.41) HSP90AA1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL15559352 0.85 RAB9A (0.41) RAB9AL3MBTL1MEN1KMT2AHDAC6
SCHEMBL15553880 0.85 KMT2A (0.40) RAB9AL3MBTL1MEN1KMT2AHDAC6
SCHEMBL15543539 0.83 RAB9A (0.52) RAB9AL3MBTL1KMT2AHDAC6NPC1
SCHEMBL7142227 0.81 RAB9A (0.68) RAB9AL3MBTL1MEN1KMT2AHDAC6
SCHEMBL15559543 0.80 L3MBTL1 (0.55) RAB9AL3MBTL1KMT2AHDAC6NPC1
SCHEMBL15543919 0.79 RAB9A (0.42) RAB9AL3MBTL1MEN1KMT2AHDAC6
SCHEMBL15560851 0.79 RAB9A (0.53) RAB9AL3MBTL1KMT2AHDAC6NPC1
SCHEMBL15555203 0.78 RAB9A (0.56) RAB9AL3MBTL1KMT2AHDAC6NPC1
SCHEMBL15553346 0.78 RAB9A (0.41) RAB9AL3MBTL1MEN1KMT2AHDAC6

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-2014002109-A1 SUBSTITUTED TETRAZOLE COMPOUNDS AND PROCESS THEREOF RALLIS INDIA LIMITED (IN) 2014-01-03 WO claimed