SCHEMBL9633508

SCHEMBL9633508

C=COC(=O)N1CCN(c2c(F)cc3c(=O)c(C(=O)OCC)cn(CCF)c3c2F)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
KMT2A Q03164 3/20 0.48
STAT3 P40763 2/20 0.45
ALDH1A1 P00352 6/20 0.44
HPGD P15428 5/20 0.43
HSD17B10 Q99714 4/20 0.43
MEN1 O00255 1/20 0.41
PMP22 Q01453 1/20 0.41
CYP2C19 P33261 1/20 0.38
ADRB2 P07550 1/20 0.38

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
SCHEMBL9636784 0.86 KDM4E (0.76) KDM4EKMT2ASTAT3ALDH1A1HPGD
SCHEMBL9635375 0.83 KDM4E (0.62) KDM4EKMT2ASTAT3ALDH1A1HPGD
SCHEMBL9636861 0.81 KDM4E (0.71) KDM4EKMT2ASTAT3ALDH1A1HPGD
SCHEMBL11187032 0.81 KDM4E (0.55) KDM4EKMT2ASTAT3ALDH1A1HPGD
SCHEMBL11185195 0.81 KDM4E (0.54) KDM4EKMT2ASTAT3ALDH1A1HPGD
SCHEMBL5258333 0.79 STAT3 (0.62) KDM4EKMT2ASTAT3ALDH1A1HPGD
SCHEMBL9635338 0.78 KDM4E (0.58) KDM4EKMT2ASTAT3ALDH1A1HPGD
SCHEMBL11235862 0.77 STAT3 (0.54) KDM4EKMT2ASTAT3ALDH1A1HPGD
SCHEMBL13576353 0.77 KDM4E (0.79) KDM4EKMT2AALDH1A1HPGDHSD17B10
SCHEMBL11182877 0.77 KDM4E (0.53) KDM4EKMT2ASTAT3ALDH1A1HPGD

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
US-5162523-A CEPHALOSPORIN ANTIBACTERIAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 1992-11-10 US disclosed
US-5159077-A Bactericide, antibiotic HOFFMANN-LA ROCHE INC. (US) 1992-10-27 US disclosed
EP-0409081-A1 Beta-Lactam Derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-01-23 EP disclosed