SCHEMBL7849809

SCHEMBL7849809

CCc1c(C(=O)c2cc(C)cc(C)c2)[nH]c(=O)[nH]c1=O.CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC2CC2)c(=O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
TPH1 P17752 1/20 0.32
TPH2 Q8IWU9 1/20 0.32
NOTUM Q6P988 1/20 0.31
CRHR1 P34998 1/20 0.31
TSHR P16473 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
SCHEMBL7841353 0.95 GRIN1 (0.34) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL6087020 0.92 GRIN1 (0.43) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL7067487 0.87 GRIN1 (0.39) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL6087285 0.87 GRIN1 (0.39) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL6088074 0.86 GRIN1 (0.39) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL675478 0.83 KMT2A (0.35) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL7852090 0.82 GRIN1 (0.37) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL8204210 0.82 HPGD (0.40) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL8182725 0.82 GRIN1 (0.42) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL6085497 0.81 PDE3B (0.41) CYP3A4TSHRPDE3BPDE3A

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