SCHEMBL7974798

SCHEMBL7974798

CS(=O)(=O)c1ccc(CCC([NH])=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ENPP2 Q13822 2/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GSR P00390 2/20 0.44
PTGS2 P35354 1/20 0.41
BMP1 P13497 2/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 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
SCHEMBL27890820 0.85 CA1 (0.50) CA1CA2ENPP2ALDH1A1LMNA
SCHEMBL1429021 0.83 CA1 (0.68) CA1CA2ALDH1A1LMNANPSR1
SCHEMBL8072061 0.83 ALDH1A1 (0.57) CA1CA2ENPP2ALDH1A1LMNA
SCHEMBL2653485 0.81 ALDH1A1 (0.64) CA1CA2ENPP2ALDH1A1LMNA
SCHEMBL13055884 0.79 IDO1 (0.57) CA1CA2ALDH1A1LMNANPSR1
SCHEMBL28294562 0.77 MMP12 (0.58) CA1CA2ALDH1A1LMNANPSR1
SCHEMBL935251 0.76 ALDH1A1 (0.54) CA1CA2ENPP2ALDH1A1LMNA
SCHEMBL1434498 0.76 CA2 (0.64) CA1CA2ENPP2PTGS2KCNJ1
SCHEMBL27109801 0.76 KCNJ1 (0.43) CA1CA2ENPP2ALDH1A1LMNA
SCHEMBL28327299 0.76 CYP4F2 (0.66) ALDH1A1LMNANPSR1PTGS2

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
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed