SCHEMBL7852090

SCHEMBL7852090

Cc1cc(C)cc(C(=O)c2[nH]c(=O)[nH]c(=O)c2C(C)C)c1.Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CC2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
USP1 O94782 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NOTUM Q6P988 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
SCHEMBL7848991 0.95 MTOR (0.35) GRIN1GRIN2BMEN1KMT2ATDP1
SCHEMBL674037 0.92 GRIN1 (0.42) GRIN1GRIN2BMEN1KMT2AALDH1A1
SCHEMBL6088384 0.88 GRIN1 (0.38) GRIN1GRIN2BMEN1KMT2AALDH1A1
SCHEMBL7068410 0.88 GRIN1 (0.38) GRIN1GRIN2BMEN1KMT2AALDH1A1
SCHEMBL6086562 0.87 MTOR (0.38) GRIN1GRIN2BMEN1KMT2AALDH1A1
SCHEMBL675171 0.85 KMT2A (0.35) GRIN1GRIN2BMEN1KMT2ATDP1
SCHEMBL7852959 0.83 KDM4E (0.34) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL8210568 0.83 HPGD (0.39) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL12752325 0.83 GRIN1 (0.35) GRIN1GRIN2BMEN1KMT2AALDH1A1
SCHEMBL7849809 0.82 GRIN1 (0.38) GRIN1GRIN2BMEN1KMT2AALDH1A1

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