SCHEMBL7071591

SCHEMBL7071591

CCc1c(Sc2ccccc2)n(CC2=CCCC2CO)c(=O)[nH]c1=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
BRD4 O60885 2/20 0.31
BRDT Q58F21 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 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
SCHEMBL7070950 0.87
SCHEMBL7067908 0.81 MEN1 (0.32) GAAALDH1A1MEN1KMT2ABRD4
SCHEMBL7071341 0.78 MEN1 (0.33) GAAALDH1A1MEN1KMT2ABRD4
SCHEMBL7071625 0.76 ALDH1A1 (0.40) GAAALDH1A1MEN1KMT2ATSHR
SCHEMBL7071722 0.76 GAA (0.32) GAAALDH1A1MEN1KMT2ABRD4
SCHEMBL7067258 0.75 ALDH1A1 (0.35) GAAALDH1A1MEN1KMT2ABRD4
SCHEMBL7067905 0.74 GAA (0.32) GAAALDH1A1MEN1KMT2ABRD4
SCHEMBL7066669 0.73 BRD4 (0.34) GAAALDH1A1MEN1KMT2ABRD4
SCHEMBL8760090 0.72 UPP1 (0.49) ALDH1A1TSHRMAPK1
SCHEMBL7213295 0.72 ALDH1A1 (0.50) GAAALDH1A1MEN1KMT2ATSHR

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