SCHEMBL8358401

SCHEMBL8358401

COC(=O)c1cc(S(C)(=O)=O)cc(C(C)CO)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 3/20 0.38
CA2 P00918 3/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS2 P35354 2/20 0.34
MAPT P10636 2/20 0.34
RORC P51449 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
RRM1 P23921 1/20 0.33
RRM2B Q7LG56 1/20 0.33
USP28 Q96RU2 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33

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
SCHEMBL8358390 0.85 ALDH1A1 (0.38) ALDH1A1TSHRLMNACA2GAA
SCHEMBL8350665 0.85 LMNA (0.51) ALDH1A1TSHRLMNAGAAMEN1
SCHEMBL8358621 0.84 CA2 (0.39) ALDH1A1TSHRLMNACA2GAA
SCHEMBL8089448 0.79 LMNA (0.35) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL8354879 0.75 LMNA (0.42) ALDH1A1LMNAKDM4EHSD17B10MAPT
SCHEMBL8354928 0.75 ALDH1A1 (0.42) ALDH1A1TSHRLMNACA2GAA
SCHEMBL8355025 0.75 ALDH1A1 (0.42) ALDH1A1TSHRLMNACA2GAA
SCHEMBL8358558 0.72 LMNA (0.45) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL2872060 0.71 LMNA (0.68) ALDH1A1TSHRLMNAGAAL3MBTL1
SCHEMBL8088976 0.70 LMNA (0.32) TSHRLMNARORC

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