SCHEMBL6019985

SCHEMBL6019985

O=[N+]([O-])c1cc(Br)ccc1NOCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
PKM P14618 3/20 0.42
RAB9A P51151 3/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CYP19A1 P11511 2/20 0.39

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
SCHEMBL5591572 0.87 CYP19A1 (0.41) ABCB1ABCC1PKMRAB9AMAPK1
SCHEMBL3359456 0.83 MAPK1 (0.51) PKMRAB9AMAPK1NPC1L3MBTL1
SCHEMBL594650 0.79 MAPT (0.61) ABCB1MAPK1L3MBTL1POLBKMT2A
SCHEMBL709343 0.77 KMT2A (0.65) PKMRAB9AMAPK1NPC1POLB
SCHEMBL1312167 0.76 POLB (0.57) ABCB1RAB9ANPC1POLBKMT2A
SCHEMBL31473699 0.76 POLB (0.57) ABCB1RAB9ANPC1POLBKMT2A
SCHEMBL22897914 0.75 TSHR (0.43) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL4633259 0.74 CTSV (0.43) ABCB1ABCC1KDM4EKMT2AMEN1
SCHEMBL29197789 0.74 PIN1 (0.46) PKMRAB9ANPC1L3MBTL1KMT2A
SCHEMBL337857 0.74 L3MBTL1 (0.68) PKMMAPK1L3MBTL1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 WO disclosed