SCHEMBL28790630

SCHEMBL28790630

O=C1CCc2ccc(C[SH](=O)=O)cc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.50
IL4I1 Q96RQ9 1/20 0.45
HRH3 Q9Y5N1 2/20 0.39
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRD4 O60885 2/20 0.37
PTGS2 P35354 1/20 0.36
HSD17B1 P14061 2/20 0.34
AKR1B1 P15121 1/20 0.33
MET P08581 1/20 0.33
BAZ1A Q9NRL2 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
SCHEMBL4818350 0.78 PBRM1 (0.58) PBRM1IL4I1HRH3MAOAMAOB
SCHEMBL1512782 0.78 PBRM1 (0.53) PBRM1IL4I1HRH3MAOAMAOB
SCHEMBL7605245 0.78 PBRM1 (0.53) PBRM1IL4I1HRH3MAOAMAOB
SCHEMBL26703825 0.78 PBRM1 (0.53) PBRM1IL4I1HRH3MAOAMAOB
SCHEMBL31660699 0.78 PBRM1 (0.58) PBRM1IL4I1HRH3MAOAMAOB
SCHEMBL4812956 0.75 PBRM1 (0.55) PBRM1IL4I1HRH3MAOAMAOB
SCHEMBL8688671 0.75 PBRM1 (0.50) PBRM1IL4I1HRH3MAOAMAOB
SCHEMBL23397539 0.74 PBRM1 (0.49) PBRM1IL4I1HRH3MAOAMAOB
SCHEMBL4815514 0.74 PBRM1 (0.49) PBRM1IL4I1HRH3MAOAMAOB
SCHEMBL18618556 0.74 PBRM1 (0.49) PBRM1IL4I1HRH3MAOAMAOB

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
CN-102066328-A Iminopyridine derivative and use thereof TAKEDA PHARMACEUTICAL 2011-05-18 CN disclosed