SCHEMBL8549299

SCHEMBL8549299

O=C(O)C(Br)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
MMP2 P08253 1/20 0.58
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
MAPT P10636 5/20 0.58
POLB P06746 3/20 0.58
HTT P42858 2/20 0.58
DDX3X O00571 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
BLM P54132 1/20 0.52
ALDH1A1 P00352 7/20 0.52
GAA P10253 1/20 0.51
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSP90AA1 P07900 1/20 0.49
HPGD P15428 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49

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
SCHEMBL9706333 0.82 SMN1; SMN2 (0.59) CA12CA1MMP2MEN1KMT2A
SCHEMBL15994785 0.82 SMN1; SMN2 (0.59) CA12CA1MMP2MEN1KMT2A
SCHEMBL6920322 0.82 CA12 (0.58) CA12CA1MMP2MEN1KMT2A
Hydrochloric Acid SCHEMBL10523672 0.81 SMN1; SMN2 (0.57) CA12CA1MMP2MEN1KMT2A
SCHEMBL11198273 0.79 SMN1; SMN2 (0.56) CA12CA1MMP2MEN1KMT2A
SCHEMBL11198274 0.79 SMN1; SMN2 (0.56) CA12CA1MMP2MEN1KMT2A
SCHEMBL7582132 0.79 ALDH1A1 (0.57) CA12CA1MMP2MEN1KMT2A
SCHEMBL8977462 0.78 ALDH1A1 (0.60) CA12CA1MMP2MEN1KMT2A
SCHEMBL6267800 0.76 CA12 (0.63) CA12CA1MMP2MEN1KMT2A
SCHEMBL29233717 0.76 ALDH1A1 (0.60) CA12CA1MMP2MEN1KMT2A

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
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed