SCHEMBL6086464

SCHEMBL6086464

Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccc3ccccc3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.44
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
TLR7 Q9NYK1 1/20 0.36
MEN1 O00255 1/20 0.36
PSMD14 O00487 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TACR1 P25103 1/20 0.35
PARP1 P09874 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
ESR1 P03372 1/20 0.35
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL6089258 0.91 KMT2A (0.41) KDM4EALDH1A1KMT2ATLR7MEN1
SCHEMBL6086784 0.88 ALDH1A1 (0.36) ALDH1A1L3MBTL1PARP1PARP2
SCHEMBL6088109 0.87 KMT2A (0.37) KDM4EALDH1A1KMT2AMEN1PSMD14
SCHEMBL6087879 0.87 DAO (0.45) DAOKDM4EALDH1A1KMT2AMEN1
SCHEMBL6634103 0.86 KMT2A (0.38) KDM4EALDH1A1KMT2ATLR7MEN1
SCHEMBL6086426 0.86 MTNR1A (0.47) DAOKDM4EALDH1A1KMT2A
SCHEMBL6087400 0.85 KDM4E (0.33) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL6088424 0.84 CYP1A2 (0.38) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL6637345 0.83 GAA (0.39) KDM4EKMT2ATLR7MEN1PSMD14
SCHEMBL6085834 0.83 IDH1 (0.41)

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