SCHEMBL3234002

SCHEMBL3234002

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.59
PARP1 P09874 3/20 0.59
JAK2 O60674 1/20 0.52
DYRK1A Q13627 1/20 0.51
ABCG2 Q9UNQ0 3/20 0.51
PBRM1 Q86U86 1/20 0.50
RAB9A P51151 1/20 0.48
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CSNK2A1 P68400 1/20 0.47
LMNA P02545 1/20 0.47
DHFR P00374 1/20 0.46
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
IMPDH2 P12268 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL2441761 0.86 ABCG2 (0.50) KIF11PARP1ABCG2PBRM1LMNA
SCHEMBL2444761 0.85 PBRM1 (0.68) ABCG2PBRM1KMT2AALDH1A1MEN1
SCHEMBL14376207 0.82 KIF11 (0.86) KIF11PARP1ABCG2RAB9AKMT2A
SCHEMBL30571577 0.82 KIF11 (0.86) KIF11PARP1ABCG2RAB9AKMT2A
SCHEMBL3230702 0.79 PBRM1 (0.71) PARP1DYRK1AABCG2PBRM1CSNK2A1
SCHEMBL2442637 0.79 PBRM1 (0.49) ABCG2PBRM1ALDH1A1LMNADHFR
SCHEMBL2445608 0.76 PIM1 (0.53) DYRK1AABCG2PBRM1KMT2AALDH1A1
SCHEMBL4725998 0.75 KIF11 (0.84) KIF11PARP1DYRK1ARAB9AKMT2A
SCHEMBL29708168 0.75 KIF11 (0.84) KIF11PARP1DYRK1ARAB9AKMT2A
SCHEMBL9485757 0.75 MPL (0.61) KIF11PBRM1KMT2AALDH1A1MEN1

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 4 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
EP-1458392-B9 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2010-07-28 EP disclosed
EP-1458392-B1 ACRIDONES AS INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2009-09-02 EP disclosed