SCHEMBL4020683

SCHEMBL4020683

Cc1c(Br)ccc(OCc2ccccc2)c1[N+](=O)[O-].O=[N+]([O-])c1c(OCc2ccccc2)ccc(Br)c1C=CN1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
HPD P32754 5/20 0.41
MAPT P10636 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP19A1 P11511 3/20 0.37
APP P05067 3/20 0.37
GAA P10253 1/20 0.35

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
SCHEMBL4020681 1.00 POLB (0.45) POLBHPDMAPTNPC1RAB9A
SCHEMBL3611368 0.94 POLB (0.49) POLBHPDMAPTNPC1RAB9A
SCHEMBL3611364 0.94 POLB (0.49) POLBHPDMAPTNPC1RAB9A
SCHEMBL3614237 0.84 MAPT (0.49) POLBHPDMAPTNPC1RAB9A
SCHEMBL4014590 0.83 POLB (0.43) POLBHPDMAPTNPC1RAB9A
SCHEMBL4014596 0.83 POLB (0.43) POLBHPDMAPTNPC1RAB9A
SCHEMBL595211 0.80 MCOLN3 (0.41) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL595210 0.80 MCOLN3 (0.41) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27750368 0.77 RAB9A (0.45) POLBHPDMAPTNPC1RAB9A
SCHEMBL8026962 0.76 MEN1 (0.47) POLBHPDMAPTNPC1RAB9A

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-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO disclosed