SCHEMBL3230702

SCHEMBL3230702

O=C(O)c1ccc2c(=O)c3cccc(C(=O)O)c3[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 2/20 0.71
PARP1 P09874 3/20 0.55
PTPN1 P18031 1/20 0.49
IMPDH2 P12268 5/20 0.46
DYRK1A Q13627 1/20 0.46
TTR P02766 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
KDM4E B2RXH2 2/20 0.44
CSNK2A1 P68400 2/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
GFER P55789 2/20 0.43
MAPT P10636 1/20 0.43
PIM1 P11309 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MPL P40238 1/20 0.43
DHFR P00374 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
SCHEMBL10857797 0.84 PBRM1 (0.69) PBRM1PARP1ABCG2KDM4EGFER
SCHEMBL10863663 0.84 PBRM1 (0.69) PBRM1ABCG2KDM4EGFERMAPT
SCHEMBL11068316 0.84 PARP1 (0.54) PBRM1PARP1IMPDH2DYRK1ATTR
SCHEMBL8143454 0.84 PBRM1 (0.69) PBRM1DYRK1AABCG2KDM4E
SCHEMBL7565777 0.84 PBRM1 (0.69) PBRM1PARP1ABCG2KDM4EGFER
SCHEMBL2444365 0.84 PBRM1 (0.69) PBRM1PARP1DYRK1AABCG2KDM4E
SCHEMBL4943278 0.83 PBRM1 (1.00) PBRM1PARP1DYRK1AABCG2KDM4E
SCHEMBL29801740 0.83 PBRM1 (1.00) PBRM1PARP1DYRK1AABCG2KDM4E
SCHEMBL3234597 0.80 PARP1 (0.67) PBRM1PARP1IMPDH2TTRKDM4E
SCHEMBL3234002 0.79 KIF11 (0.59) PBRM1PARP1IMPDH2DYRK1AABCG2

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-1458392-B9 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2010-07-28 EP claimed
EP-1458392-B1 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2009-09-02 EP claimed