SCHEMBL6954149

SCHEMBL6954149

COC(=O)c1c(C)nc(C)c(C(=O)O)c1-c1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.47
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PRNP P04156 1/20 0.43
PPARG P37231 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
HTT P42858 4/20 0.42
TSHR P16473 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL6509414 0.84 LMNA (0.58) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL2636856 0.82 MEN1 (0.51) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL6958448 0.81 SMN1; SMN2 (0.69) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL6956083 0.81 MEN1 (0.50) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL6949727 0.80 KMT2A (0.49) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL2636596 0.80 KMT2A (0.49) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL11254998 0.80 MEN1 (0.49) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL29383650 0.80 KMT2A (0.49) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL6951228 0.79 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL30587182 0.79 SMN1; SMN2 (0.49) MEN1KMT2ASMN1; SMN2KDM4ELMNA

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