SCHEMBL7848982

SCHEMBL7848982

Cc1cc(C)cc(Sc2[nH]c(=O)n(CC3CC3)c(=O)c2C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.42
GRIN2B Q13224 5/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
RORC P51449 1/20 0.32
KDM5B Q9UGL1 1/20 0.31
USP1 O94782 1/20 0.31
TLR9 Q9NR96 2/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
MAPK10 P53779 1/20 0.31
NOTUM Q6P988 1/20 0.30
MAP3K11 Q16584 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
SCHEMBL8531551 0.95 GRIN1 (0.39) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL8529240 0.92 GRIN1 (0.35) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL8338402 0.83
SCHEMBL7847397 0.82 GRIN1 (0.43) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL2471003 0.81 GRIN1 (0.42) GRIN1GRIN2BMEN1ALDH1A1CYP3A4
SCHEMBL9009378 0.80 NOTUM (0.30) NOTUM
SCHEMBL7848879 0.80 TYMS (0.35)
SCHEMBL7843371 0.79 ALDH1A1 (0.41) MEN1ALDH1A1CYP3A4KMT2ASMN1; SMN2
SCHEMBL8335901 0.79
SCHEMBL7851616 0.78 GRIN1 (0.34) GRIN1GRIN2BMEN1ALDH1A1CYP3A4

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