4-Bromoaniline

4-Bromoaniline

SCHEMBL3968901

CC(C)O.CC(C)O.Nc1ccc(Br)cc1

nearest known ligand 0.68

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
ALOX15 P16050 3/20 0.68
MAPK1 P28482 1/20 0.68
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2A6 P11509 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALOX5 P09917 1/20 0.39
NOS1 P29475 2/20 0.39
CYP3A4 P08684 2/20 0.39
ACHE P22303 1/20 0.39
CA3 P07451 1/20 0.39
THRB P10828 1/20 0.39
CA6 P23280 1/20 0.39
CASP1 P29466 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAOA P21397 1/20 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
4-Bromoaniline SCHEMBL27779930 0.86 ALDH1A1 (0.81) ALDH1A1ALOX15MAPK1MAPTMEN1
4-Bromoaniline SCHEMBL45481 0.83
4-Bromoaniline SCHEMBL2580141 0.80
4-Bromoaniline SCHEMBL28002358 0.80
4-Bromoaniline SCHEMBL22289673 0.80
4-Bromoaniline SCHEMBL4372833 0.80 ALDH1A1 (0.93) ALDH1A1ALOX15MAPK1MAPTMEN1
4-Bromoaniline SCHEMBL29028151 0.80
4-Bromoaniline SCHEMBL9491015 0.80
4-Bromoaniline SCHEMBL28834526 0.77 ALDH1A1 (0.87) ALDH1A1ALOX15MAPK1MAPTMEN1
4-Bromoaniline SCHEMBL27598179 0.77 ALDH1A1 (0.65) ALDH1A1ALOX15MAPK1MAPTMEN1

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-2046559-A2 DUAL CURE ADHESIVE FORMULATIONS LORD CORPORATION (US) 2009-04-15 EP disclosed
WO-2008014466-A2 DUAL CURE ADHESIVE FORMULATIONS LORD CORPORATION (US) 2008-01-31 WO disclosed