SCHEMBL7819707

SCHEMBL7819707

CN1CCN(c2cc3c(cc2F)c(=O)c(OC(=O)O)cn3-c2ccc(F)cc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.78
KMT2A Q03164 4/20 0.78
LMNA P02545 3/20 0.78
KDM4E B2RXH2 9/20 0.60
ALDH1A1 P00352 7/20 0.60
HPGD P15428 3/20 0.60
HSD17B10 Q99714 1/20 0.60
DRD3 P35462 1/20 0.53
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.48
RAD52 P43351 1/20 0.48
GLA P06280 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
SCHEMBL9047088 0.92 MEN1 (0.67) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL9043035 0.89 KMT2A (0.62) MEN1KMT2ALMNAKDM4EALDH1A1
Difloxacin SCHEMBL29695838 0.88 LMNA (1.00) MEN1KMT2ALMNAKDM4EALDH1A1
Difloxacin SCHEMBL148765 0.88 LMNA (1.00) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL9047179 0.87 LMNA (0.61) MEN1KMT2ALMNAKDM4EALDH1A1
Difloxacin SCHEMBL203110 0.87 LMNA (0.98) MEN1KMT2ALMNAKDM4EALDH1A1
Difloxacin SCHEMBL27973383 0.86 LMNA (0.96) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL5195883 0.86 KMT2A (0.58) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL16518633 0.86 MEN1 (0.85) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL9668000 0.84 LMNA (0.56) MEN1KMT2ALMNAKDM4EALDH1A1

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-0828715-B1 N-OXIDES AS ANTIBACTERIAL AGENTS BAYER AG (DE) 2001-08-16 EP disclosed