SCHEMBL7142227

SCHEMBL7142227

O=[N+]([O-])c1ccc(-c2nnn(Cc3ccccc3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
NPC1 O15118 2/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.53
HDAC6 Q9UBN7 1/20 0.52
THRB P10828 2/20 0.50
ALDH1A1 P00352 1/20 0.49
ATM Q13315 1/20 0.49
AR P10275 1/20 0.48

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
SCHEMBL17834026 0.88 RAB9A (0.61) RAB9AL3MBTL1NPC1KMT2AMEN1
SCHEMBL17834016 0.83 RAB9A (0.48) RAB9AL3MBTL1NPC1KMT2AMEN1
SCHEMBL29353662 0.83 NPC1 (0.67) RAB9AL3MBTL1NPC1SMN1; SMN2THRB
SCHEMBL4413466 0.82 RAB9A (1.00) RAB9AL3MBTL1NPC1KMT2ASMN1; SMN2
SCHEMBL15543138 0.81 HSP90AA1 (0.51) RAB9AL3MBTL1NPC1KMT2AMEN1
SCHEMBL7140847 0.80 LMNA (0.59) L3MBTL1KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL8223284 0.80 RAB9A (0.57) RAB9AL3MBTL1NPC1KMT2AMEN1
SCHEMBL15551853 0.79 RAB9A (0.45) RAB9AL3MBTL1NPC1KMT2AMEN1
SCHEMBL15542738 0.79 RAB9A (0.45) RAB9AL3MBTL1NPC1KMT2AMEN1
SCHEMBL10980707 0.79 MEN1 (0.67) RAB9AL3MBTL1NPC1KMT2AMEN1

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
CN-1127487-C Phthalazinones ALTANA PHARMA AG (DE) 2003-11-12 CN disclosed
EP-0971901-B1 PHTHALAZINONES ALTANA PHARMA AG (DE) 2003-02-26 EP disclosed
US-6103718-A Phthalazinones BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-08-15 US disclosed