SCHEMBL4989358

SCHEMBL4989358

CS(=O)(=O)c1ccc(NC(=O)C2CCC(=O)N2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
TGM2 P21980 7/20 0.47
F13A1 P00488 6/20 0.47
TGM1 P22735 6/20 0.47
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
F10 P00742 1/20 0.45
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ENPP2 Q13822 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL4387495 0.89 KDM4E (0.51) KDM4ELMNAPOLBHSD17B10F10
SCHEMBL4386052 0.88 POLB (0.52) KDM4ELMNAPOLBHSD17B10F10
SCHEMBL4388871 0.86 NPSR1 (0.56) KDM4ELMNAMMP2MMP9POLB
SCHEMBL4393341 0.81 POLB (0.52) KDM4ELMNAPOLBNPSR1ALDH1A1
SCHEMBL8290690 0.80 SMN1; SMN2 (0.48) ALDH1A1
SCHEMBL15743850 0.80 SMN1; SMN2 (0.48) ALDH1A1
SCHEMBL9377286 0.78 SMN1; SMN2 (0.47) NPSR1ALDH1A1
SCHEMBL29816738 0.78 KMT2A (0.49) NPSR1
SCHEMBL20886535 0.78 KMT2A (0.49) NPSR1
SCHEMBL19313922 0.78 KMT2A (0.49) NPSR1

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
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 EP disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO disclosed