SCHEMBL8354895

SCHEMBL8354895

COC(=O)c1cc(S(C)(=O)=O)cc(I)c1OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.40
TPMT P51580 1/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.37
CFTR P13569 1/20 0.36
CDK1 P06493 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.35
PTGS2 P35354 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8102925 0.86 LMNA (0.45) KDM4EALDH1A1HPGDPOLBTPMT
SCHEMBL3215571 0.83 KDM4E (0.38) CA2KDM4EALDH1A1POLBHSD17B10
SCHEMBL8356473 0.83 MAPT (0.38) CA2KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL8354928 0.81 ALDH1A1 (0.42) CA2KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL8354876 0.80 KDM4E (0.39) CA2KDM4EALDH1A1HPGDNPSR1
SCHEMBL1530644 0.78 KDM4E (0.45) CA2KDM4EALDH1A1HPGDNPSR1
SCHEMBL1017860 0.78 KDM4E (0.45) CA2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1809801 0.78 LMNA (0.46) CA2KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL24837041 0.77 KDM4E (0.44) KDM4EALDH1A1HPGDNPSR1POLB
SCHEMBL7824006 0.76 KMT2A (0.44) CA2KDM4EALDH1A1HPGDNPSR1

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-6001881-A Ortho-substituted benzoylguanidines, a process for their preparation, their use as a medicament or diagnostic agent, and a medicament comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed