SCHEMBL7845897

SCHEMBL7845897

Cc1cc(C)cc(C(=O)c2[nH]c(=O)n(Cc3cc(F)ccc3F)c(=O)c2C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 3/20 0.34
ROCK2 O75116 5/20 0.33
PCSK9 Q8NBP7 1/20 0.33
LIPE Q05469 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
CASR P41180 1/20 0.32
RIPK1 Q13546 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90B1 P14625 1/20 0.31
TRAP1 Q12931 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
AURKA O14965 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL6086885 0.84 HDAC1 (0.34) ROCK2PCSK9LIPEGRIN1GRIN2B
SCHEMBL7846575 0.81 HPD (0.41) LIPE
SCHEMBL7845907 0.79 MAPT (0.36)
SCHEMBL7845796 0.78 GRIN1 (0.48) GRIN1GRIN2B
SCHEMBL7847828 0.77 MEN1 (0.33) GRIN1GRIN2B
SCHEMBL7837543 0.76 GRIN1 (0.43) GRIN1GRIN2B
SCHEMBL7846719 0.76 TYMS (0.41) GRIN2B
SCHEMBL6086687 0.76 ROCK2 (0.36) DDR1ROCK2PCSK9GRIN1GRIN2B
SCHEMBL7848710 0.76 MTNR1A (0.37)
SCHEMBL8187917 0.76 USP2 (0.38)

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-1100786-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-05-23 EP disclosed
WO-2000061564-A1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-10-19 WO disclosed