SCHEMBL17834016

SCHEMBL17834016

O=[N+]([O-])c1ccc(Cn2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TGM2 P21980 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
HDAC6 Q9UBN7 4/20 0.43
CYP19A1 P11511 1/20 0.43
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL17834018 0.92 KMT2A (0.56) RAB9AL3MBTL1KMT2AMEN1NPC1
SCHEMBL17825313 0.91 RAB9A (0.54) RAB9AL3MBTL1KMT2ANPC1SMN1; SMN2
SCHEMBL17834027 0.91 LMNA (0.53) RAB9AL3MBTL1KMT2AMEN1NPC1
SCHEMBL17834021 0.91 KMT2A (0.58) RAB9AL3MBTL1KMT2ANPC1SMN1; SMN2
SCHEMBL17834026 0.90 RAB9A (0.61) RAB9AL3MBTL1KMT2AMEN1NPC1
SCHEMBL17834025 0.90 CYP19A1 (0.44) RAB9AL3MBTL1KMT2AMEN1NPC1
SCHEMBL17834019 0.89 ESR1 (0.47) RAB9AL3MBTL1KMT2AMEN1NPC1
SCHEMBL17834017 0.87 NPC1 (0.58) RAB9AL3MBTL1NPC1SMN1; SMN2LMNA
SCHEMBL17834022 0.87 KMT2A (0.47) RAB9AL3MBTL1KMT2AMEN1NPC1
SCHEMBL17825079 0.85 RAB9A (0.48) RAB9AL3MBTL1KMT2ANPC1SMN1; SMN2

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-2016091228-A1 SUBSTITUTED PHENYLTETRAZOLE, ITS USE AND PHARMACEUTICAL PREPARATION CONTAINING IT UNIVERZITA KARLOVA V PRAZE (CZ) 2016-06-16 WO disclosed