SCHEMBL7068567

SCHEMBL7068567

CCc1c(C(=O)c2cc(C)cc(C)c2)n(CCC2=CCCC2)c(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.42
HSD17B10 Q99714 3/20 0.42
LMNA P02545 2/20 0.42
USP2 O75604 2/20 0.42
MAPT P10636 8/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 9/20 0.40
KMT2A Q03164 9/20 0.40
ALOX15 P16050 1/20 0.40
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 4/20 0.40
HTT P42858 2/20 0.40
CASP1 P29466 1/20 0.40
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2471874 0.90 MEN1 (0.36) ALDH1A1HSD17B10LMNAUSP2MAPT
SCHEMBL8338415 0.85 ALDH1A1 (0.45) ALDH1A1HSD17B10LMNAUSP2MAPT
SCHEMBL12752168 0.79 KMT2A (0.40) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
SCHEMBL7066678 0.78 HPGD (0.40) ALDH1A1HSD17B10MAPTSMN1; SMN2KDM4E
SCHEMBL6087754 0.77 KMT2A (0.39) ALDH1A1HSD17B10LMNAMAPTSMN1; SMN2
SCHEMBL7070169 0.76 KMT2A (0.36) ALDH1A1MAPTSMN1; SMN2TDP1MEN1
SCHEMBL675376 0.76 MEN1 (0.35) ALDH1A1HSD17B10LMNAUSP2MAPT
SCHEMBL6089500 0.76 TPH1 (0.38) ALDH1A1LMNASMN1; SMN2KDM4ETDP1
SCHEMBL6087285 0.75 GRIN1 (0.39) ALDH1A1HSD17B10SMN1; SMN2KDM4ETDP1
SCHEMBL7067487 0.75 GRIN1 (0.39) ALDH1A1HSD17B10SMN1; SMN2KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827498-B1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS SAMJIN PHARM CO LTD (KR) 2003-06-18 EP disclosed
US-5922727-A 1-((SUBSTITUTED)CYCLOALK(EN)YLALKYL)-6-((SUB)PHENYL(CARBONYL, SULFIDE, OR OXO))-2,4-PYRIMIDINEDIONE DERIVATIVES HAVING SUPERIOR ANTIVIRAL ACTIVITIES; HIV SAMJIN PHARMACEUTICAL CO., LTD (KR) 1999-07-13 US disclosed
EP-0827498-A1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS Samjin Pharmaceutical Co., Ltd. (KR) 1998-03-11 EP disclosed
WO-1997030979-A1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1997-08-28 WO disclosed