SCHEMBL8803271

SCHEMBL8803271

NC(N)=NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 4/20 0.54
LMNA P02545 3/20 0.54
GFER P55789 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 1/20 0.51
MAPK1 P28482 1/20 0.51
TP53 P04637 1/20 0.50
NPBWR1 P48145 1/20 0.50
MCHR1 Q99705 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL8802388 0.99 TSHR (0.65) TSHRMAPTNPSR1ALDH1A1KDM4E
SCHEMBL1708867 0.81 TSHR (1.00) TSHRMAPTALDH1A1KDM4ELMNA
SCHEMBL4716406 0.81 TSHR (0.78) TSHRMAPTNPSR1ALDH1A1KDM4E
SCHEMBL3921818 0.79 TSHR (0.97) TSHRMAPTALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL9436788 0.79 MAPT (0.58) MAPTALDH1A1KDM4ELMNAKMT2A
SCHEMBL8803257 0.78 TSHR (0.64) TSHRMAPTALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL9364154 0.77 LMNA (0.60) LMNA
SCHEMBL8802382 0.76 TSHR (0.62) TSHRMAPTALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL9436702 0.76 TDP1 (0.64) TSHRMAPTALDH1A1LMNAKMT2A
SCHEMBL493045 0.74 POLB (0.72) TSHRMAPTALDH1A1KDM4EKMT2A

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-0556673-B1 Ortho-substituted benzoylguanidines, process for their preparation, their use as medicament or diagnostic agent, as well as medicaments containing them HOECHST AG (DE) 1997-09-17 EP disclosed
EP-0556673-A1 Ortho-substituted benzoylguanidines for the treatment and prophylaxis of heart-rhythm disorders and ischaemically induced damage, as well as inhibition of cell proliferation HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-25 EP disclosed