SCHEMBL4656876

SCHEMBL4656876

Cc1ccc(-n2cnc(Br)c2C(=O)CC(=O)O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
HCAR1 Q9BXC0 2/20 0.41
TP53 P04637 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 3/20 0.39
COMT P21964 1/20 0.36
HTT P42858 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRM1 Q13255 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2071032 0.86 MEN1 (0.45) POLBHCAR1TP53MEN1KMT2A
SCHEMBL2069197 0.85 KDM4E (0.47) POLBHCAR1TP53MEN1KMT2A
Hydrochloric Acid SCHEMBL2070338 0.81 HCAR1 (0.44) POLBHCAR1TP53MEN1KMT2A
SCHEMBL2070675 0.80 GABRG2 (0.46) POLBHCAR1TP53MEN1KMT2A
SCHEMBL2070757 0.69 NPSR1 (0.38) POLBHCAR1TP53MEN1KMT2A
SCHEMBL18268478 0.68 LMNA (0.61) POLBHCAR1TP53MEN1KMT2A
SCHEMBL213156 0.66 LMNA (0.46) POLBTP53MEN1KMT2ALMNA
SCHEMBL9352393 0.65 HSD11B1 (0.55) POLBTP53MEN1KMT2AMAPT
SCHEMBL27200164 0.63 HCAR1 (0.45) POLBHCAR1TP53MEN1KMT2A
SCHEMBL24945058 0.63 ALDH1A1 (0.65) POLBTP53MEN1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732541-A4 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-03-05 EP disclosed
EP-1732541-A2 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005099688-A2 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-27 WO disclosed