SCHEMBL6086536

SCHEMBL6086536

CCc1c(C(=O)c2cc(C)cc(C)c2)n(CC2CO2)c(=O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
TP53 P04637 1/20 0.33
HBB P68871 1/20 0.33
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
BRD4 O60885 2/20 0.32
BRDT Q58F21 2/20 0.32
ALDH1A1 P00352 5/20 0.32
NPSR1 Q6W5P4 2/20 0.31
HSD17B10 Q99714 2/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
ADCY8 P40145 1/20 0.30
ADCY1 Q08828 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
SCHEMBL7850549 0.92 USP2 (0.35) KMT2AMEN1TDP1SMN1; SMN2TP53
SCHEMBL6087020 0.87 GRIN1 (0.43) KMT2AMEN1TDP1SMN1; SMN2GRIN1
SCHEMBL6087285 0.85 GRIN1 (0.39) KMT2AMEN1TDP1SMN1; SMN2GRIN1
SCHEMBL675478 0.85 KMT2A (0.35) KMT2AMEN1TDP1SMN1; SMN2GRIN1
SCHEMBL7067487 0.85 GRIN1 (0.39) KMT2AMEN1TDP1SMN1; SMN2GRIN1
SCHEMBL6087585 0.84 KMT2A (0.35) KMT2AMEN1TDP1SMN1; SMN2TP53
SCHEMBL6088074 0.84 GRIN1 (0.39) KMT2AMEN1TDP1SMN1; SMN2GRIN1
SCHEMBL12752168 0.84 KMT2A (0.40) KMT2AMEN1TDP1SMN1; SMN2TP53
SCHEMBL6087754 0.82 KMT2A (0.39) KMT2AMEN1TDP1SMN1; SMN2TP53
SCHEMBL7071466 0.81 MEN1 (0.33) KMT2AMEN1TDP1SMN1; SMN2GRIN1

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 1 patent. 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