SCHEMBL6087415

SCHEMBL6087415

CCc1c(Sc2cc(C)cc(C)c2)n(CC2CC2)c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.43
GRIN2B Q13224 6/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
TPH1 P17752 3/20 0.33
TPH2 Q8IWU9 3/20 0.33
PKM P14618 1/20 0.32
NOTUM Q6P988 1/20 0.31
BRD4 O60885 1/20 0.30
BRDT Q58F21 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAP3K11 Q16584 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TSHR P16473 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
SCHEMBL6086438 0.95 GRIN1 (0.39) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL6086706 0.94 GRIN1 (0.39) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL7073497 0.91 GRIN1 (0.35) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL7844956 0.88 GRIN1 (0.35) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL7847019 0.87 GRIN1 (0.34) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL2471003 0.82 GRIN1 (0.42) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL2465342 0.82 SMN1; SMN2 (0.34) MEN1KMT2ASMN1; SMN2PKMTDP1
SCHEMBL6087421 0.81 SMN1; SMN2 (0.37) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL7847397 0.81 GRIN1 (0.43) GRIN1GRIN2BMEN1KMT2ASMN1; SMN2
SCHEMBL7759911 0.80 SMN1; SMN2 (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1PKM

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
US-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed
EP-1100786-B1 ANTIVIRAL PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2004-07-21 EP disclosed