SCHEMBL8779244

SCHEMBL8779244

NCC(=O)NC(=O)Oc1nc(OCc2ccccc2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.44
MCL1 Q07820 1/20 0.37
PARP10 Q53GL7 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
GRM5 P41594 1/20 0.36
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 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
SCHEMBL8779184 0.89 MAOB (0.39) PARP10LMNARAB9AMEN1KMT2A
SCHEMBL8779196 0.89 MAOB (0.37) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8779211 0.86 MEN1 (0.40) PARP10HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8785041 0.85 LTA4H (0.42) LTA4HLMNAHPGDNPC1RAB9A
SCHEMBL8779424 0.83 MAPK8 (0.37) PARP10HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8779132 0.81 ACACB (0.34) LMNA
SCHEMBL8882670 0.81 LTA4H (0.46) LTA4HMCL1PARP10LMNAHPGD
SCHEMBL8779178 0.80 PRKD3 (0.33) HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8779023 0.80 KDM4E (0.36) SMN1; SMN2KMT2A
SCHEMBL8779309 0.80 L3MBTL1 (0.39)

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