SCHEMBL6087585

SCHEMBL6087585

Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CC2CO2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
TP53 P04637 2/20 0.31
HBB P68871 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 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
SCHEMBL7854200 0.92 USP2 (0.36) KMT2AMEN1TDP1SMN1; SMN2ALDH1A1
SCHEMBL674037 0.88 GRIN1 (0.42) KMT2AMEN1TDP1GRIN1GRIN2B
SCHEMBL675171 0.87 KMT2A (0.35) KMT2AMEN1TDP1GRIN1GRIN2B
SCHEMBL6088384 0.86 GRIN1 (0.38) KMT2AMEN1TDP1GRIN1GRIN2B
SCHEMBL7068410 0.86 GRIN1 (0.38) KMT2AMEN1TDP1GRIN1GRIN2B
SCHEMBL6086562 0.85 MTOR (0.38) KMT2AMEN1TDP1GRIN1GRIN2B
SCHEMBL6086536 0.84 KMT2A (0.36) KMT2AMEN1TDP1GRIN1GRIN2B
SCHEMBL12752174 0.83 KMT2A (0.40) KMT2AMEN1TDP1TP53SMN1; SMN2
SCHEMBL12752183 0.82 KMT2A (0.47) KMT2AMEN1TDP1TP53SMN1; SMN2
SCHEMBL12752290 0.82 B3GNT2 (0.41) KMT2AMEN1TDP1GRIN1GRIN2B

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