SCHEMBL6086282

SCHEMBL6086282

Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccc3ccccc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.45
TLR7 Q9NYK1 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
PSMD14 O00487 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CXCL8 P10145 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ESR1 P03372 1/20 0.35
ADORA3 P0DMS8 2/20 0.35
ACHE P22303 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6086605 0.90 HPGD (0.42) TLR7KDM4EHPGDKMT2AMEN1
SCHEMBL6086822 0.88 NPC1 (0.37) TLR7KDM4EHPGDKMT2AMEN1
SCHEMBL6086546 0.87 TPH1 (0.34) DAOTLR7KDM4EHPGDKMT2A
SCHEMBL6086384 0.86 MTNR1A (0.47) DAOHPGDKMT2AALDH1A1ADORA3
SCHEMBL6086507 0.85 DAO (0.45) DAOKDM4EHPGDKMT2AMEN1
SCHEMBL6086314 0.84 HTT (0.33) DAOTLR7KDM4EHPGDKMT2A
SCHEMBL6088008 0.84 DPP4 (0.36) KDM4EHPGDKMT2AMEN1PSMD14
SCHEMBL6087689 0.83 GRIN1 (0.40) DAOKMT2A
SCHEMBL6086939 0.82 GRIN1 (0.43) TLR7HPGDALDH1A1POLB
SCHEMBL6086149 0.82 MTNR1A (0.35) KDM4EHPGDKMT2AMEN1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed
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