SCHEMBL14587264

SCHEMBL14587264

Nc1cccc2ccc(SOOO)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
KLK1 P06870 1/20 0.46
PRSS1 P07477 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
TDP2 O95551 1/20 0.44
CASP6 P55212 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 3/20 0.41
CYP3A4 P08684 3/20 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
SCHEMBL13861470 0.89 ALDH1A1 (0.42) F2PLGPLAUPLATKLK1
SCHEMBL13419047 0.81 CYP1A2 (0.49) PLAUALDH1A1TDP1L3MBTL1HPGD
SCHEMBL2734946 0.77 CYP1A2 (0.41) ALDH1A1TDP1CYP3A4HSD17B10PTPN11
SCHEMBL224317 0.77 ALDH1A1 (0.52) F2PLGPLAUPLATKLK1
SCHEMBL13252185 0.76 EP300 (0.38) ALDH1A1KDM4EKMT2APOLBTDP1
SCHEMBL13861474 0.74 ALDH1A1 (0.43) F2PLAUALDH1A1KDM4EKMT2A
SCHEMBL12429486 0.74 CDC25B (0.51) F2PLGPLAUPLATKLK1
SCHEMBL15139242 0.73 CYP2A6 (0.39) ALDH1A1KDM4ETDP1HPGDHSD17B10
SCHEMBL13861485 0.73 ALDH1A1 (0.42) F2PLAUALDH1A1KDM4EKMT2A
SCHEMBL12406604 0.72 CYP1A2 (0.50) PLAUALDH1A1TDP1L3MBTL1HPGD

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-20070031319-A1 Carbon material DEGUSSA AG (DE) 2007-02-08 US disclosed