SCHEMBL7073497

SCHEMBL7073497

CCc1c(Sc2cc(C)cc(C)c2)n(CC2CC=CC2)c(=O)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 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
SCHEMBL6087415 0.91 GRIN1 (0.43) GRIN1GRIN2BSMN1; SMN2PKMMEN1
SCHEMBL2465342 0.89 SMN1; SMN2 (0.34) SMN1; SMN2PKMMEN1KMT2A
SCHEMBL6086438 0.89 GRIN1 (0.39) GRIN1GRIN2BSMN1; SMN2PKMMEN1
SCHEMBL6086706 0.88 GRIN1 (0.39) GRIN1GRIN2BSMN1; SMN2MEN1ALDH1A1
SCHEMBL7067258 0.85 ALDH1A1 (0.35) SMN1; SMN2PKMMEN1ALDH1A1KMT2A
SCHEMBL7070555 0.84 GRIN1 (0.35) GRIN1GRIN2BSMN1; SMN2MEN1ALDH1A1
SCHEMBL7844956 0.81 GRIN1 (0.35) GRIN1GRIN2BSMN1; SMN2MEN1ALDH1A1
SCHEMBL7847019 0.81 GRIN1 (0.34) GRIN1GRIN2BSMN1; SMN2MEN1ALDH1A1
SCHEMBL6087421 0.80 SMN1; SMN2 (0.37) GRIN1GRIN2BSMN1; SMN2PKMMEN1
SCHEMBL7758222 0.78 SMN1; SMN2 (0.35) SMN1; SMN2PKMMEN1ALDH1A1KMT2A

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