SCHEMBL8779145

SCHEMBL8779145

O=C(Nc1cccc(C(=O)O)c1)NS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 2/20 0.57
HPSE Q9Y251 1/20 0.57
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CYP2C9 P11712 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CBS P35520 1/20 0.52
MITF O75030 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL6463046 0.91 LMNA (0.72) POLBMEN1KMT2ALMNANPC1
SCHEMBL7276663 0.82 LMNA (0.63) MEN1KMT2ALMNARAB9ACYP2C9
SCHEMBL6324425 0.82 LMNA (0.56) MEN1KMT2ALMNACYP2C9CA1
SCHEMBL8418023 0.81 LMNA (0.70) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL6326710 0.80 RAB9A (0.62) POLBMEN1KMT2ALMNANPC1
SCHEMBL4749812 0.79 NPC1 (0.80) POLBMEN1KMT2ALMNAHPSE
SCHEMBL6326204 0.79 LMNA (0.67) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL6326162 0.79 FLT1 (0.54) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL9068784 0.78 FLT1 (0.58) MEN1KMT2ALMNACYP2C9CA1
SCHEMBL7285851 0.78 FLT1 (0.58) MEN1KMT2ALMNACYP2C9CA1

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-0787717-A1 Substituted diaryl dicarboxylic acid diguanidines, process for their preparation, their use as inhibitors of the Na+/H+ exchange as well as medicament or diagnostic agent containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-08-06 EP disclosed