SCHEMBL9537516

SCHEMBL9537516

CS(=O)(=O)c1cccc(-c2ccccc2)c1N=C(N)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
PTGS2 P35354 3/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC9A1 P19634 1/20 0.37
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
F2 P00734 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL9537980 0.81 SIGMAR1 (0.47) SIGMAR1TSHRRECQLALDH1A1SMN1; SMN2
SCHEMBL9060155 0.75 PTGS2 (0.54) SIGMAR1PTGS2MEN1KMT2AALOX5
SCHEMBL9061357 0.74 SIGMAR1 (0.60) SIGMAR1TSHRRECQLALDH1A1SMN1; SMN2
SCHEMBL9059154 0.70 POLB (0.40) SIGMAR1SMN1; SMN2KDM4ELMNAKMT2A
SCHEMBL9537649 0.69 POLB (0.39) SIGMAR1SMN1; SMN2KDM4EKMT2A
SCHEMBL9061389 0.68 SIGMAR1 (0.39) SIGMAR1ALDH1A1MEN1KMT2A
Iodide SCHEMBL10827362 0.68 SIGMAR1 (0.55) SIGMAR1HTTKDM4EMEN1LMNA
SCHEMBL8518311 0.68 SIGMAR1 (0.54) SIGMAR1HTTKDM4EMEN1LMNA
Hydrochloric Acid SCHEMBL28106772 0.68 TSHR (0.54) TSHRRECQLALDH1A1SMN1; SMN2HTT
SCHEMBL11485191 0.67 SIGMAR1 (0.50) SIGMAR1ALDH1A1HTTKDM4EMEN1

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
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed