SCHEMBL7849258

SCHEMBL7849258

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)n2Cc2cc(F)cc(F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
LIPE Q05469 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
SCHEMBL6085657 0.92 GRIN1 (0.36) GRIN1GRIN2BMEN1KMT2ATDP1
SCHEMBL8210568 0.89 HPGD (0.39) MEN1KMT2A
SCHEMBL7847117 0.88 DHODH (0.35) MEN1KMT2AHDAC1HDAC8HDAC6
SCHEMBL6088109 0.85 KMT2A (0.37) MEN1KMT2ATDP1HDAC1HDAC8
SCHEMBL10204389 0.83 PGR (0.33) GRIN1GRIN2BMEN1KMT2ATDP1
SCHEMBL7851716 0.83 NR3C1 (0.37) GRIN1GRIN2B
SCHEMBL501413 0.82 KMT2A (0.35) GRIN1GRIN2BMEN1KMT2ATDP1
SCHEMBL7852959 0.82 KDM4E (0.34) MEN1KMT2ATDP1
SCHEMBL10204282 0.81 KMT2A (0.36) MEN1KMT2ATDP1HDAC1HDAC8
SCHEMBL7852090 0.81 GRIN1 (0.37) GRIN1GRIN2BMEN1KMT2ATDP1

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