SCHEMBL8568656

SCHEMBL8568656

O=C(NCc1ccccc1)[C@@H](Br)CCBr

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.51
KMT2A Q03164 4/20 0.50
MME P08473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CACNA1C Q13936 1/20 0.46
SCN9A Q15858 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL8568653 1.00 MMP8 (0.51) MMP8KMT2AMMEL3MBTL1GAA
SCHEMBL8514567 0.86 KMT2A (0.53) MMP8KMT2AMMEGAAALDH1A1
SCHEMBL27520455 0.86 KMT2A (0.53) KMT2AALDH1A1MEN1
SCHEMBL10638067 0.85 KMT2A (0.53) MMP8KMT2AMMEL3MBTL1ALDH1A1
SCHEMBL8562678 0.84 HPGD (0.49) KMT2AL3MBTL1GAAALDH1A1
SCHEMBL1543096 0.84 MEN1 (0.54) KMT2AGAAALDH1A1MEN1MAPT
SCHEMBL16885994 0.84 KMT2A (0.54) KMT2AGAAALDH1A1MEN1PKM
SCHEMBL8562675 0.84 HPGD (0.49) KMT2AL3MBTL1GAAALDH1A1
SCHEMBL27485082 0.83 NPC1 (0.44) MMP8KMT2AL3MBTL1MEN1PKM
SCHEMBL526555 0.83 KMT2A (0.53) MMP8KMT2AMMEL3MBTL1GAA

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
US-5804577-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1998-09-08 US disclosed
EP-0761673-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP disclosed