SCHEMBL6956083

SCHEMBL6956083

COC(=O)c1c(C)nc(C)c(C(=O)O)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LDHA P00338 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KMO O15229 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.39
RBP4 P02753 1/20 0.39
PLA2G2A P14555 1/20 0.38
CTSA P10619 2/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL10745909 0.85 LDHA (0.52) MEN1KMT2ALDHASMN1; SMN2KDM4E
SCHEMBL904650 0.82 LDHA (0.46) MEN1KMT2ALDHASMN1; SMN2KDM4E
SCHEMBL11010734 0.82 ALDH1A1 (0.60) MEN1KMT2ALDHASMN1; SMN2KDM4E
SCHEMBL10745184 0.81 LDHA (0.49) LDHASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL10763318 0.81 LDHA (0.42) MEN1KMT2ALDHASMN1; SMN2KDM4E
SCHEMBL6954149 0.81 MEN1 (0.53) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6509414 0.81 LMNA (0.58) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2636856 0.79 MEN1 (0.51) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6958448 0.78 SMN1; SMN2 (0.69) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL14941196 0.78 LDHA (0.41) MEN1KMT2ALDHASMN1; SMN2ALDH1A1

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-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP claimed