SCHEMBL3626469

SCHEMBL3626469

O=[N+]([O-])C(Br)c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.36
HIF1A Q16665 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP19A1 P11511 2/20 0.35
CNR1 P21554 1/20 0.33
MITF O75030 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
SCHEMBL446453 0.77 CES2 (0.43) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL22559438 0.76 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL22559530 0.74 FBP1 (0.39) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL3675454 0.72 ALDH1A1 (0.35) ALDH1A1POLBHPGDHIF1ACYP3A4
SCHEMBL3271045 0.71 SLC6A3 (0.54) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL4703227 0.68 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL3364298 0.68
SCHEMBL8472664 0.68 SLC6A2 (0.48) ALDH1A1KMT2AMEN1MAPTSLC6A2
SCHEMBL8380148 0.68 SLC6A2 (0.48) ALDH1A1KMT2AMEN1MAPTSLC6A2
SCHEMBL17085748 0.68 SLC6A2 (0.48) ALDH1A1KMT2AMEN1MAPTSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2216372-B1 Compounds for preventing Ghost odour THOR GMBH (DE) 2014-06-04 EP disclosed
US-8287631-B2 Compounds for preventing ghost odour THOR GMBH (DE) 2012-10-16 US disclosed
EP-2216372-A1 Compounds for preventing Ghost odour THOR GmbH (DE) 2010-08-11 EP disclosed
US-20100186631-A1 Compounds for preventing ghost odour THOR GMBH (DE) 2010-07-29 US disclosed