SCHEMBL10641963

SCHEMBL10641963

COc1cc(C)c(Cl)c(C)c1S(=O)(=O)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.49
TRPV4 Q9HBA0 1/20 0.42
TSHR P16473 2/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 2/20 0.39
NMT1 P30419 2/20 0.38
FFAR4 Q5NUL3 3/20 0.37
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 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
SCHEMBL10961222 0.86 PKM (0.49) PKMTRPV4TSHRGLAKMT2A
SCHEMBL10638960 0.84 PKM (0.51) PKMTRPV4TSHRGLAKMT2A
SCHEMBL248149 0.79 NMT1 (0.50) PKMTRPV4TSHRGLAKMT2A
SCHEMBL24811430 0.78 TRPV4 (0.41) PKMTRPV4TSHRGLAKMT2A
SCHEMBL28340937 0.75 ACHE (0.48) TRPV4TSHRGLAKMT2AFFAR4
SCHEMBL10639533 0.75 PKM (0.41) PKMTSHRGLAKMT2ANMT1
SCHEMBL10639539 0.75 PKM (0.41) PKMTSHRGLAKMT2ANMT1
SCHEMBL22264549 0.74 GLA (0.38) PKMTSHRGLAKMT2AALDH1A1
SCHEMBL30943706 0.74 GLA (0.38) PKMTSHRGLAKMT2AALDH1A1
SCHEMBL28017980 0.74 ACHE (0.41) PKMTSHRGLAKMT2ANMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4766241-A LOWER ACUTE TOXICITY HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-23 US disclosed
US-4607030-A ANTIEDEMICS, HYPOTENSIVES HOECHST AKTIENGESELLSCHAFT (DE) 1986-08-19 US disclosed
EP-0088345-A2 2-Aminomethyl-6-sulfamoylphenol derivatives, process for their preparation, their use and pharmaceutical preparations based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1983-09-14 EP disclosed