SCHEMBL629205

SCHEMBL629205

CS(=O)(=O)OCCCCCCCCCCSCCCC(F)(F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MMP9 P14780 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32

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
SCHEMBL629001 1.00 KDM4E (0.47) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7236428 0.87 TSHR (0.58) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6938057 0.87 TSHR (0.58) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL11247741 0.87 TSHR (0.58) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL7236663 0.85 USP2 (0.60) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2929806 0.83 USP2 (0.56) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2244078 0.82 TSHR (0.52) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL629087 0.80 KDM4E (0.40) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL22673043 0.77 TSHR (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL28098985 0.75 TSHR (0.56) KDM4EUSP2ALDH1A1LMNAMMP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419410-B1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA SAS (FR) 2013-03-06 EP disclosed
EP-2419410-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2012-02-22 EP disclosed
WO-2010119193-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2010-10-21 WO disclosed