SCHEMBL15225754

SCHEMBL15225754

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
GFER P55789 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2864940 0.93 MAPT (0.48) MAPK1MAPTALDH1A1LMNAKMT2A
SCHEMBL2869162 0.90 ME2 (0.53) KDM4EMAPTALDH1A1LMNAKMT2A
SCHEMBL2864929 0.89 MEN1 (0.52) KDM4ERECQLTDP1MAPTALDH1A1
SCHEMBL2856092 0.87 SMN1; SMN2 (0.47) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL2858385 0.87 MAPT (0.55) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL2859704 0.87 SLC6A7 (0.53) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL2863214 0.86 ALDH1A1 (0.41) MAPK1KDM4ERECQLTDP1MAPT
SCHEMBL2866392 0.86 FKBP1A (0.50) KDM4EMAPTALDH1A1LMNAKMT2A
SCHEMBL2859146 0.86 MAPT (0.47) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL2854657 0.84 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMEN1TSHR

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
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP claimed