SCHEMBL7849860

SCHEMBL7849860

CCc1c(C(=O)c2cc(C)cc(C)c2)[nH]c(=O)[nH]c1=O.CCc1c(C(=O)c2cc(C)cc(C)c2)n(Cc2occc2C(=O)OC)c(=O)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GSK3B P49841 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6086953 0.93 KMT2A (0.35) MEN1KMT2ATDP1GSK3BMAPT
SCHEMBL6087200 0.81 KMT2A (0.34) MEN1KMT2ATDP1GSK3BMAPT
SCHEMBL7851704 0.80 GSK3B (0.32) GSK3BMAPTTHRBSMN1; SMN2
SCHEMBL8204210 0.80 HPGD (0.40) MEN1KMT2A
SCHEMBL6086801 0.78 DRD1 (0.35) MEN1KMT2ATDP1GSK3BMAPT
SCHEMBL7846777 0.76 SMN1; SMN2 (0.34) MEN1KMT2AGSK3BMAPTTHRB
SCHEMBL8336664 0.75 GRIN1 (0.39) MEN1KMT2A
SCHEMBL8173986 0.75 DAO (0.38) DHODHMEN1KMT2AMAPT
SCHEMBL7849809 0.74 GRIN1 (0.38) MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL7851350 0.74 DHODH (0.40) DHODHMEN1KMT2ATDP1

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