SCHEMBL6121001

SCHEMBL6121001

COc1cc2c(C(=O)O)c(-c3ccc(F)cc3)nn2cc1N(Cc1ccccc1)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 5/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
NTSR1 P30989 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CYP3A4 P08684 1/20 0.40
ACLY P53396 2/20 0.38
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL6120949 0.92 L3MBTL1 (0.43) SMN1; SMN2L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL2432818 0.85 KEAP1 (0.41)
SCHEMBL6120699 0.83 CYP3A4 (0.40) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL15941908 0.82 CYP19A1 (0.47)
SCHEMBL12329898 0.80 FPR2 (0.37) SMN1; SMN2KMT2AALDH1A1MEN1KDM4E
SCHEMBL2467500 0.79 DHODH (0.38) KMT2AALDH1A1MEN1KDM4EPOLB
SCHEMBL12164724 0.78 KEAP1 (0.38) ALDH1A1LMNA
SCHEMBL9911862 0.78 MEN1 (0.35) KMT2AMEN1
SCHEMBL6120998 0.78 ACLY (0.43) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL2469793 0.77 LMNA (0.40) SMN1; SMN2KMT2AALDH1A1MEN1KDM4E

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
WO-2012067664-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 WO disclosed