SCHEMBL16049802

SCHEMBL16049802

CCOc1cc(C(=O)OC)cc(Br)c1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
MAPT P10636 3/20 0.49
TSHR P16473 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
NOTUM Q6P988 2/20 0.44
CREBBP Q92793 1/20 0.44
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL16049887 0.84 NOTUM (0.47) LMNAKMT2AMAPTTSHRL3MBTL1
SCHEMBL25980852 0.83 LMNA (0.52) LMNANCOA1NCOA3KMT2AMEN1
SCHEMBL731013 0.82 LMNA (0.50) LMNANCOA1NCOA3KMT2AMEN1
SCHEMBL6601501 0.78 MAPT (0.59) LMNANCOA1NCOA3KMT2AMEN1
SCHEMBL733132 0.78 TSHR (0.50) LMNANCOA1NCOA3KMT2AMEN1
SCHEMBL732996 0.78 TSHR (0.50) LMNANCOA1NCOA3KMT2AMAPT
SCHEMBL1726759 0.77 KDM4E (0.50) LMNAMAPTL3MBTL1ALDH1A1GAA
SCHEMBL29633582 0.77 KDM4E (0.51) LMNAKMT2AMEN1TSHRL3MBTL1
SCHEMBL30164563 0.77 KDM4E (0.50) LMNAMAPTL3MBTL1ALDH1A1GAA
SCHEMBL28030473 0.77 TSHR (0.66) LMNAKMT2AMEN1TSHRSMN1; SMN2

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-2014139145-A1 NOVEL PYRIMIDINE AND PYRIDINE COMPOUNDS AND USAGE THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2014-09-18 WO disclosed