SCHEMBL7723399

SCHEMBL7723399

CCCC(C(=O)Br)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 4/20 0.44
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
GSK3B P49841 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL7732967 0.91 HDAC3 (0.45) ALDH1A1NPC1MAPTBCL9CTNNB1
SCHEMBL7733304 0.87 NPC1 (0.50) ALDH1A1KDM4ENPC1MAPTBCL9
SCHEMBL1527805 0.86 AKR1C3 (0.50) ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL7732581 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL7723428 0.82 ACP3 (0.48) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL1768101 0.82 MAPT (0.53) ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL9652014 0.79 MAPT (0.43) ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL1400169 0.77 AKR1C3 (0.48) ALDH1A1NPC1MAPTBCL9CTNNB1
SCHEMBL7440503 0.77 MAPT (0.46) ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL4867981 0.77 ALDH1A1 (0.64) ALDH1A1KDM4ESLC6A2SLC6A4SLC6A3

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
US-6476266-B1 Diamino compound and production process for the same CHISSO CORPORATION (JP) 2002-11-05 US disclosed