SCHEMBL8779168

SCHEMBL8779168

NCC(=O)NC(=O)Oc1nccc(OCc2ccc(Cl)cc2)c1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOB P27338 4/20 0.37
HDAC8 Q9BY41 2/20 0.37
NR4A2 P43354 1/20 0.37
HTT P42858 1/20 0.37
MAOA P21397 1/20 0.36
PPIA P62937 1/20 0.36
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 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
SCHEMBL8779302 0.90 PLAU (0.36) SMN1; SMN2ALDH1A1KMT2APPIALMNA
SCHEMBL8779285 0.89 KDM4E (0.40) SMN1; SMN2L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL8779406 0.89 LTA4H (0.44) SMN1; SMN2L3MBTL1PPIA
SCHEMBL8779246 0.87 MAOB (0.43) ALDH1A1MAOBPPIA
SCHEMBL8786060 0.85 PPIA (0.46) SMN1; SMN2L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL8779331 0.84 MMP1 (0.41) SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL8779192 0.84 KDM4E (0.39) SMN1; SMN2L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL8880773 0.82 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL8779326 0.81 SMN1; SMN2 (0.39) SMN1; SMN2KMT2ALMNAHPGD
SCHEMBL8779187 0.81 MRGPRX4 (0.37) L3MBTL1ALDH1A1MAOBPPIA

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-0661269-B1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AG (DE) 1997-03-26 EP disclosed
EP-0661269-A1 Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed