SCHEMBL6640392

SCHEMBL6640392

Cc1cc(Cl)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccncc2C(N)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.33
SIRT3 Q9NTG7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TGFBR1 P36897 1/20 0.31
CDC7 O00311 1/20 0.31
HSD17B10 Q99714 2/20 0.30
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL6640589 0.94 TDP1 (0.34) SIRT3TDP1KDM4EALDH1A1HPGD
SCHEMBL6636874 0.84 SMN1; SMN2 (0.33) TDP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6640101 0.82 GRIN1 (0.33) TDP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14292833 0.79 KDM4E (0.31) KDM4EALDH1A1HPGD
SCHEMBL6637345 0.79 GAA (0.39) TDP1KDM4EHPGDTSHRPOLB
SCHEMBL10204421 0.79 KMT2A (0.34) SMN1; SMN2POLB
SCHEMBL6643127 0.79
SCHEMBL6637359 0.78 HSD17B10 (0.34) TDP1KDM4EALDH1A1HSD17B10
SCHEMBL12752165 0.78 KMT2A (0.35) TDP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10204337 0.78 IDH1 (0.31) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1159271-B1 ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2004-08-25 EP disclosed
US-6713486-B1 HIGH ACTIVITY AGAINST WILD-TYPE AND MUTANT HIV-1; LOW TOXICITY KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2004-03-30 US disclosed
EP-1159271-A4 ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2002-06-05 EP disclosed
EP-1159271-A1 ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2001-12-05 EP disclosed
WO-2000051990-A1 ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-09-08 WO disclosed