SCHEMBL5830173

SCHEMBL5830173

NC(=O)c1[c]cc(C(=O)N2CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.55
ALDH1A1 P00352 4/20 0.55
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
MAPK1 P28482 1/20 0.46
MLYCD O95822 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAOA P21397 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL3 Q96JM7 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL5830139 0.97 HPGD (0.50) HPGDALDH1A1CA12CA1CA2
SCHEMBL5830651 0.84 PLA2G7 (0.41) HPGDALDH1A1CA12CA1CA2
Terephthalamide SCHEMBL1160127 0.77 HPGD (0.76) HPGDALDH1A1CA12CA1CA2
SCHEMBL472215 0.77 HPGD (0.76) HPGDALDH1A1CA12CA1CA2
SCHEMBL5694406 0.77 HPGD (0.76) HPGDALDH1A1CA12CA1CA2
SCHEMBL7304754 0.77 PARP10 (0.41) ALDH1A1CA12CA1CA2CA9
SCHEMBL5830250 0.76 GAA (0.58) HPGDALDH1A1CA12CA1CA2
SCHEMBL367513 0.75 HPGD (0.80) HPGDALDH1A1CA12CA1CA2
SCHEMBL1160398 0.75 HPGD (0.80) HPGDALDH1A1CA12CA1CA2
SCHEMBL367607 0.75 HPGD (0.80) HPGDALDH1A1CA12CA1CA2

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-7030141-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2006-04-18 US disclosed