SCHEMBL9745653

SCHEMBL9745653

CCn1cc(C(=O)OCC2=C(C(=O)O)N3C(=O)C(NC(=O)COc4ccccc4)[C@H]3SC2)c(=O)c2cc(F)c(N3CCNCC3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 4/20 0.50
HTT P42858 3/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
BRD4 O60885 1/20 0.50
CYP2J2 P51589 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD3 P35462 1/20 0.42
PIK3CG P48736 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL9745641 1.00 L3MBTL1 (0.52) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9743438 0.94 L3MBTL1 (0.53) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9744839 0.93 L3MBTL1 (0.52) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9743994 0.91 L3MBTL1 (0.54) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9743435 0.90 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9022337 0.89 L3MBTL1 (0.53) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9744832 0.88 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9744098 0.85 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9744088 0.85 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8499948 0.85 KDM4E (0.56) L3MBTL1KDM4EALDH1A1HPGDHSD17B10

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 disclosed