SCHEMBL9743994

SCHEMBL9743994

CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)OCC2=C(C(=O)O)N4C(=O)[C@@H](NC(=O)COc5ccccc5)[C@H]4SC2)cn3CCF)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.54
ALDH1A1 P00352 6/20 0.51
CTDSP1 Q9GZU7 3/20 0.47
TDP1 Q9NUW8 2/20 0.46
DRD3 P35462 1/20 0.44
HPGD P15428 4/20 0.44
MAPT P10636 2/20 0.44
NR1I2 O75469 1/20 0.44
DNMT1 P26358 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
SLC22A11 Q9NSA0 1/20 0.44
KDM4E B2RXH2 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.41
RAD52 P43351 1/20 0.41

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
SCHEMBL9744098 0.92 L3MBTL1 (0.57) L3MBTL1ALDH1A1CTDSP1TDP1HPGD
SCHEMBL9744088 0.92 L3MBTL1 (0.57) L3MBTL1ALDH1A1CTDSP1TDP1HPGD
SCHEMBL9743438 0.92 L3MBTL1 (0.53) L3MBTL1ALDH1A1CTDSP1TDP1DRD3
SCHEMBL9745653 0.91 L3MBTL1 (0.52) L3MBTL1ALDH1A1CTDSP1TDP1DRD3
SCHEMBL9745641 0.91 L3MBTL1 (0.52) L3MBTL1ALDH1A1CTDSP1TDP1DRD3
SCHEMBL9744839 0.90 L3MBTL1 (0.52) L3MBTL1ALDH1A1CTDSP1TDP1DRD3
SCHEMBL9744184 0.90 L3MBTL1 (0.54) L3MBTL1ALDH1A1CTDSP1TDP1HPGD
SCHEMBL9744166 0.90 L3MBTL1 (0.54) L3MBTL1ALDH1A1CTDSP1TDP1HPGD
SCHEMBL9745731 0.87 ALDH1A1 (0.57) ALDH1A1DRD3HPGDMAPTKDM4E
SCHEMBL9743435 0.87 L3MBTL1 (0.47) L3MBTL1ALDH1A1CTDSP1TDP1DRD3

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
US-5147871-A Anti-bacterial cephalosporin compounds HOFFMANN LA-ROCHE, INC. (US) 1992-09-15 US claimed