SCHEMBL8337012

SCHEMBL8337012

CCc1c(C(=O)c2cc(C)cc(C)c2)[nH]c(=O)n(CCC2CC=CC2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
MAPK14 Q16539 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
SCHEMBL7076081 0.89 GRIN1 (0.34) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL8340328 0.85 TP53 (0.33) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL7070169 0.84 KMT2A (0.36) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL8336767 0.84 TDP1 (0.33) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL8182725 0.82 GRIN1 (0.42) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL7854604 0.81 MAPT (0.49) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL7848699 0.81 GRIN1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2GRIN1
SCHEMBL7846211 0.79 MEN1 (0.36) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL9009353 0.79 USP2 (0.38) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8338415 0.76 ALDH1A1 (0.45) MAPTMEN1KMT2AALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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