SCHEMBL8778652

SCHEMBL8778652

CS(=O)(=O)c1cc(C(=O)NC(=N)N)ccc1Oc1ccc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
SCN9A Q15858 3/20 0.37
TP53 P04637 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
F10 P00742 4/20 0.36
FPR2 P25090 2/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8778662 0.84 MEN1 (0.37) SCN9AKMT2AALDH1A1F10
SCHEMBL8068683 0.84 SMN1; SMN2 (0.41) HPGDSMN1; SMN2LMNAHTTKDM4E
SCHEMBL8778653 0.83 SLC9A1 (0.45)
Hydrochloric Acid SCHEMBL8059609 0.83 SMN1; SMN2 (0.40) HPGDSMN1; SMN2LMNAHTTKDM4E
SCHEMBL8743793 0.82 MRGPRX1 (0.44) HPGDSMN1; SMN2LMNAF10F2
SCHEMBL8446348 0.81 CA2 (0.43) KMT2AHTTKDM4EALDH1A1F10
Hydrochloric Acid SCHEMBL8743783 0.81 MRGPRX1 (0.44) HPGDSMN1; SMN2LMNAF10F2
SCHEMBL8379266 0.81 HPGD (0.41) HPGDKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8743801 0.81 PARP10 (0.40) HPGDSMN1; SMN2HTTF10
Hydrochloric Acid SCHEMBL8059467 0.80 CA2 (0.42) KMT2AHTTKDM4EALDH1A1F10

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