SCHEMBL4014590

SCHEMBL4014590

Brc1ccc(OCc2ccccc2)c2[nH]ccc12.O=[N+]([O-])c1c(OCc2ccccc2)ccc(Br)c1/C=C/N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPD P32754 4/20 0.35
BRD4 O60885 4/20 0.35
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
APP P05067 2/20 0.32
CYP19A1 P11511 1/20 0.32
MGMT P16455 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL4014596 1.00 POLB (0.43) POLBMAPTNPC1RAB9AHPGD
SCHEMBL3611368 0.89 POLB (0.49) POLBMAPTNPC1RAB9AHPGD
SCHEMBL3611364 0.89 POLB (0.49) POLBMAPTNPC1RAB9AHPGD
SCHEMBL4020681 0.83 POLB (0.45) POLBMAPTNPC1RAB9AHPGD
SCHEMBL4020683 0.83 POLB (0.45) POLBMAPTNPC1RAB9AHPGD
SCHEMBL3621324 0.76 LTA4H (0.46) POLBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL595211 0.73 MCOLN3 (0.41) POLBMAPTNPC1RAB9ALMNA
SCHEMBL595210 0.73 MCOLN3 (0.41) POLBMAPTNPC1RAB9ALMNA
SCHEMBL27750368 0.73 RAB9A (0.45) POLBMAPTNPC1RAB9AHPGD
SCHEMBL27750250 0.72 MAPT (0.39) POLBMAPTNPC1RAB9AHPGD

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