SCHEMBL8980485

SCHEMBL8980485

NC(=O)c1cc(CC(=O)c2ccccc2)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.53
ALDH1A1 P00352 1/20 0.47
CDC25B P30305 1/20 0.47
CASP6 P55212 1/20 0.47
RCE1 Q9Y256 1/20 0.47
PLAU P00749 2/20 0.47
MAPT P10636 5/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
SMO Q99835 1/20 0.42
SRD5A2 P31213 2/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PARP1 P09874 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 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
SCHEMBL10102343 0.83 PLAU (0.51) ALDH1A1PLAUMAPTRAB9AL3MBTL1
SCHEMBL8980494 0.79 MAPK1 (0.48) ALDH1A1PLAUMAPTPOLBCYP3A4
SCHEMBL28305506 0.78 IKBKB (0.41) IKBKBALDH1A1RCE1PLAUMAPT
SCHEMBL3138019 0.78 IKBKB (0.49) IKBKBALDH1A1CDC25BCASP6RCE1
SCHEMBL11458731 0.78 MAPT (0.58) ALDH1A1CDC25BCASP6RCE1MAPT
SCHEMBL6424653 0.77 MAPT (0.52) PLAUMAPTPOLBL3MBTL1SRD5A2
SCHEMBL2978267 0.76 PLA2G10 (0.63) PLAUMAPTPOLBRAB9AL3MBTL1
SCHEMBL24574268 0.76 ALDH1A1 (0.71) IKBKBALDH1A1CDC25BCASP6RCE1
SCHEMBL29700063 0.76 ALDH1A1 (0.71) IKBKBALDH1A1CDC25BCASP6RCE1
SCHEMBL7199268 0.75 MAPT (0.67) ALDH1A1PLAUMAPTRAB9AL3MBTL1

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-5571822-A AMINO-2-PHENYL-4-QUINOLONE DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-11-05 US disclosed
WO-1996010563-A1 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-04-11 WO disclosed