SCHEMBL15210311

SCHEMBL15210311

COc1cc(-c2oc3ccc(CCC[C]=O)cc3c2C=O)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 7/20 0.46
CSNK2B P67870 7/20 0.46
CSNK2A1 P68400 7/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP3A4 P08684 3/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL29699646 0.75 MEN1 (0.41) CSNK2A2CSNK2BCSNK2A1MEN1KMT2A
SCHEMBL3486438 0.75 MEN1 (0.41) CSNK2A2CSNK2BCSNK2A1MEN1KMT2A
SCHEMBL4846708 0.75 MEN1 (0.48) CSNK2A2CSNK2BCSNK2A1MEN1KMT2A
SCHEMBL14252755 0.75 MEN1 (0.50) CSNK2A2CSNK2BCSNK2A1MEN1KMT2A
SCHEMBL27896979 0.73 MEN1 (0.48) CSNK2A2CSNK2BCSNK2A1MEN1KMT2A
SCHEMBL1421455 0.73 MAPT (0.58) CSNK2A2CSNK2BCSNK2A1MEN1KMT2A
SCHEMBL1421620 0.73 MAPT (0.58) CSNK2A2CSNK2BCSNK2A1MEN1KMT2A
SCHEMBL12690913 0.72 CSNK2A2 (0.49) CSNK2A2CSNK2BCSNK2A1MEN1KMT2A
SCHEMBL2997729 0.72 CSNK2A2 (0.47) CSNK2A2CSNK2BCSNK2A1MEN1KMT2A
SCHEMBL1421976 0.72 TUBB4A (0.55) CSNK2A2CSNK2BCSNK2A1MEN1KMT2A

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-2631232-B1 Halogen derivatives of benzo[b]furans useful as anti-neoplastic or anti-proliferative drugs CT BADAN MOLEKULAR I MAKRO (PL) 2015-09-16 EP disclosed
EP-2631232-A1 Halogen derivatives of benzo[b]furans useful as anti-neoplastic or anti-proliferative drugs Centrum Badan Molekularnych I Makromolekularnych Pan (PL) 2013-08-28 EP disclosed