SCHEMBL6417880

SCHEMBL6417880

CC(=O)c1ccc2c(C(C)=O)c[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.61
HASPIN Q8TF76 1/20 0.50
HTR1A P08908 1/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
NR4A2 P43354 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TUBB1 Q9H4B7 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 2/20 0.44
KIF11 P52732 1/20 0.44
BRPF1 P55201 1/20 0.44
GPR84 Q9NQS5 1/20 0.42

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
SCHEMBL29951669 0.90 PBRM1 (0.57) PBRM1HASPINNR4A2HSD17B10KDM4E
SCHEMBL17025018 0.90 PBRM1 (0.57) PBRM1HASPINNR4A2HSD17B10KDM4E
SCHEMBL6840378 0.86 TUBB1 (0.49) PBRM1HASPINHTR1AHTR1DHTR1B
SCHEMBL27548934 0.86 PBRM1 (0.61) PBRM1HASPINHTR1AHTR1DHTR1B
SCHEMBL10397736 0.85 NR4A2 (0.68) PBRM1NR4A2TUBB1NPC1MAPT
SCHEMBL2493105 0.85 NPC1 (0.64) PBRM1NR4A2HSD17B10TUBB1ALDH1A1
SCHEMBL13869543 0.85 MAPT (0.63) PBRM1HTR1AHTR1DHTR1BNR4A2
SCHEMBL30697204 0.85 NPC1 (0.64) PBRM1NR4A2HSD17B10TUBB1ALDH1A1
SCHEMBL16474118 0.84 NR4A2 (0.51) PBRM1HTR1AHTR1DHTR1BNR4A2
SCHEMBL2050601 0.82 CYP1A2 (0.59) HSD17B10KDM4EALDH1A1HPGDMEN1

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-20050178659-A1 Copolymer compound and electrochemical cell therewith NEC TOKIN CORPORATION (JP) 2005-08-18 US disclosed