SCHEMBL8530286

SCHEMBL8530286

Cc1cc(C)cc(C(=O)c2[nH]c(=O)n(CC3CC=CC3)c(=O)c2C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LIPG Q9Y5X9 1/20 0.30
LMNA P02545 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
SCHEMBL7846561 0.90 GRIN1 (0.38) GRIN1GRIN2BMEN1ALDH1A1KMT2A
SCHEMBL8340328 0.89 TP53 (0.33) GRIN1GRIN2BMEN1ALDH1A1KMT2A
SCHEMBL7847649 0.87 ALDH1A1 (0.32) GRIN1GRIN2BMEN1ALDH1A1KMT2A
SCHEMBL7076081 0.84 GRIN1 (0.34) GRIN1GRIN2BMEN1ALDH1A1KMT2A
SCHEMBL675171 0.82 KMT2A (0.35) GRIN1GRIN2BMEN1KMT2A
SCHEMBL7847828 0.81 MEN1 (0.33) GRIN1GRIN2BMEN1ALDH1A1KMT2A
SCHEMBL8187917 0.80 USP2 (0.38) MEN1ALDH1A1KMT2ASMN1; SMN2HSD17B10
SCHEMBL7846575 0.79 HPD (0.41) MEN1ALDH1A1KMT2ASMN1; SMN2CYP3A4
SCHEMBL8393375 0.79 MEN1 (0.33) GRIN1GRIN2BMEN1ALDH1A1KMT2A
SCHEMBL8336258 0.79 USP2 (0.30) GRIN1GRIN2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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