SCHEMBL5800941

SCHEMBL5800941

O=c1ccn(C(c2cccs2)n2ccc(=O)[nH]c2=O)c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.39
DDB1 Q16531 1/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KEAP1 Q14145 1/20 0.36
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TYMP P19971 1/20 0.33
PKM P14618 1/20 0.33
DUT P33316 4/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
ALOX5 P09917 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL4662853 0.69 CRBN (0.52) CRBNDDB1TYMPPKMDUT
SCHEMBL2719765 0.67 CRBN (0.54) CRBNDDB1POLBHSD17B10PKM
SCHEMBL10642564 0.67 CRBN (0.48) CRBNDDB1POLBHSD17B10PKM
SCHEMBL17243686 0.66 GAA (0.54) CRBNDDB1POLBHSD17B10DUT
SCHEMBL24923587 0.65 CRBN (0.50) CRBNDDB1POLBHSD17B10PKM
SCHEMBL24211424 0.65 CRBN (0.50) CRBNDDB1POLBHSD17B10PKM
SCHEMBL2983403 0.65 CRBN (0.50) CRBNDDB1POLBHSD17B10PKM
SCHEMBL23950038 0.65 CRBN (0.45) CRBNDDB1POLBHSD17B10PKM
SCHEMBL1344880 0.65 CRBN (0.50) CRBNDDB1POLBHSD17B10PKM
SCHEMBL3235862 0.65 CRBN (0.50) CRBNDDB1POLBHSD17B10PKM

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-2006070292-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (US) 2006-07-06 WO disclosed