SCHEMBL8778647

SCHEMBL8778647

CS(=O)(=O)c1cc(C(=O)NC(=N)N)ccc1Oc1ccc(-c2ccccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
F10 P00742 3/20 0.40
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
MAPK14 Q16539 1/20 0.38
SMO Q99835 1/20 0.38
KAT6A Q92794 3/20 0.37
GCK P35557 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL8690577 0.91 KAT6A (0.42) F10F2PRSS1KAT6AGCK
SCHEMBL8778662 0.85 MEN1 (0.37) F10GCKABL1
SCHEMBL8499411 0.85 GCK (0.42) F10GCK
SCHEMBL8068683 0.85 SMN1; SMN2 (0.41) F10GCK
SCHEMBL8831794 0.84 PDE4A (0.41) GCKADORA3
Hydrochloric Acid SCHEMBL8743784 0.84 GCK (0.42) F10GCK
Hydrochloric Acid SCHEMBL8059609 0.84 SMN1; SMN2 (0.40) F10GCK
Hydrochloric Acid SCHEMBL8070337 0.83 MAPT (0.38) MAPK14
SCHEMBL8831819 0.83 MEN1 (0.40) GCK
SCHEMBL8778655 0.83 SLC9A1 (0.46)

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-0640593-B1 Substituted benzoylguanidines, process for their preparation, their use as medicine or in diagnostic and medicines containing them HOECHST AG (DE) 1997-12-29 EP disclosed
EP-0640593-A1 Substituted benzoylguanidines, process for their preparation, their use as medicine or in diagnostic and medicines containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 EP disclosed