SCHEMBL7527741

SCHEMBL7527741

CC(=O)NC(C(=O)NCc1ccccc1)c1cc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CACNA1C Q13936 1/20 0.49
SCN9A Q15858 1/20 0.49
CA9 Q16790 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
KLKB1 P03952 1/20 0.44
ALDH1A1 P00352 1/20 0.43
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
MME P08473 1/20 0.41
KMT2A Q03164 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
SCHEMBL7532168 0.78 TSHR (0.58) CA12CA1CA2CA3CA4
SCHEMBL12168556 0.76 CA12 (0.61) CA12CA1CA2CA3CA4
SCHEMBL8837222 0.76 CA12 (0.51) CA12CA1CA2CA3CA4
SCHEMBL7523831 0.75 ALDH1A1 (0.55) CA12CA1CA2CA3CA4
SCHEMBL3144032 0.72 GAA (0.48) ALDH1A1KMT2A
SCHEMBL8837071 0.72 CA12 (0.56) CA12CA1CA2CA3CA4
SCHEMBL7525812 0.72 CA12 (0.52) CA12CA1CA2CA3CA4
SCHEMBL8545637 0.72 CA12 (0.66) CA12CA1CA2CA3CA4
SCHEMBL8166058 0.71 MMP8 (0.41) KLKB1ALDH1A1MME
SCHEMBL8837255 0.71 ALDH1A1 (0.58) CA12CA1CA2CA3CA4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0400440-B1 Amino acid derivative anticonvulsant RES CORP TECHNOLOGIES INC (US) 2002-03-13 EP claimed
US-5378729-A Diamide derivatives RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-01-03 US claimed
WO-1990015069-A2 AMINO ACID DERIVATIVE ANTICONVULSANT RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1990-12-13 WO claimed
EP-0400440-A1 Amino acid derivative anticonvulsant RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1990-12-05 EP claimed
EP-0400440-B1 Amino acid derivative anticonvulsant RES CORP TECHNOLOGIES INC (US) 2002-03-13 EP disclosed
US-5654301-A Lacosamide FDA Orange book listed patent RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-08-05 US disclosed
US-5378729-A Diamide derivatives RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-01-03 US disclosed
WO-1990015069-A2 AMINO ACID DERIVATIVE ANTICONVULSANT RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1990-12-13 WO disclosed
EP-0400440-A1 Amino acid derivative anticonvulsant RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1990-12-05 EP disclosed