SCHEMBL4180955

SCHEMBL4180955

CS(=O)(=O)OCCCn1nc(Br)c([N+](=O)[O-])c1NCCOS(C)(=O)=O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2926366 0.91 SMN1; SMN2 (0.34) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2929857 0.88 POLB (0.31) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2932350 0.85 HTT (0.41) KDM4EALDH1A1LMNA
SCHEMBL3141869 0.76 HTT (0.33) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL13522993 0.76 SMN1; SMN2 (0.37) ALDH1A1LMNA
SCHEMBL4193744 0.74 ALDH1A1 (0.37) ALDH1A1
SCHEMBL8920031 0.71 ALDH1A1 (0.36) ALDH1A1LMNATSHR
SCHEMBL2923471 0.71 SMN1; SMN2 (0.35) ALDH1A1
SCHEMBL2930475 0.71 SMN1; SMN2 (0.39) ALDH1A1LMNATSHR
SCHEMBL9385910 0.70 KDM4E (0.37) KDM4EALDH1A1LMNA

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
WO-2009098257-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING AT LEAST ONE CATIONIC DIAMINO-N,N-DIHYDROPYRAZOLONE DERIVATIVE L'OREAL (FR) 2009-08-13 WO disclosed