SCHEMBL5564443

SCHEMBL5564443

CCN(C(=O)c1ccc(C(=O)OC)s1)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
ATM Q13315 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MAPT P10636 5/20 0.37
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CYP3A4 P08684 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
SCHEMBL6454902 0.88 ALDH1A1 (0.46) NPSR1HPGDTSHRATML3MBTL1
SCHEMBL5557107 0.86 NPSR1 (0.43) NPSR1HPGDTSHRATML3MBTL1
SCHEMBL6455153 0.86 ALDH1A1 (0.50) NPSR1HPGDTSHRATML3MBTL1
SCHEMBL5565065 0.85 NPSR1 (0.42) NPSR1HPGDTSHRATML3MBTL1
SCHEMBL5561977 0.82 ALDH1A1 (0.56) NPSR1HPGDTSHRATML3MBTL1
SCHEMBL5559856 0.80 NPSR1 (0.40) NPSR1HPGDTSHRATML3MBTL1
SCHEMBL5565183 0.80 NPSR1 (0.42) NPSR1HPGDTSHRATML3MBTL1
SCHEMBL5565995 0.79 KDM4E (0.48) NPSR1HPGDTSHRATML3MBTL1
SCHEMBL5560390 0.78 MAPKAPK2 (0.42) L3MBTL1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL1588116 0.76 HPGD (0.51) NPSR1HPGDTSHRATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778683-A1 THIOPHENE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-05-02 EP disclosed
WO-2005121134-A1 THIOPHENE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO disclosed