SCHEMBL9744166

SCHEMBL9744166

CN1CCN(c2c(F)cc3c(=O)c(C(=O)OCC4=C(C(=O)O)N5C(=O)[C@@H](NC(=O)COc6ccccc6)[C@H]5SC4)cn(CCF)c3c2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.54
KDM4E B2RXH2 2/20 0.51
CTDSP1 Q9GZU7 3/20 0.46
TDP1 Q9NUW8 5/20 0.46
MAPT P10636 5/20 0.45
NR1I2 O75469 3/20 0.45
HPGD P15428 2/20 0.45
DNMT1 P26358 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
SLC22A11 Q9NSA0 1/20 0.45
PTGS1 P23219 1/20 0.41
ESR1 P03372 1/20 0.40
PGR P06401 1/20 0.40
PTGS2 P35354 1/20 0.40
KDR P35968 1/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL9744184 1.00 L3MBTL1 (0.54) L3MBTL1KDM4ECTDSP1TDP1MAPT
SCHEMBL9743994 0.90 L3MBTL1 (0.54) L3MBTL1KDM4ECTDSP1TDP1MAPT
SCHEMBL9743985 0.88 NR1I2 (0.55) L3MBTL1KDM4ECTDSP1TDP1MAPT
SCHEMBL9743976 0.88 NR1I2 (0.55) L3MBTL1KDM4ECTDSP1TDP1MAPT
SCHEMBL9744130 0.88 KDM4E (0.56) L3MBTL1KDM4ECTDSP1TDP1MAPT
SCHEMBL9744140 0.88 KDM4E (0.56) L3MBTL1KDM4ECTDSP1TDP1MAPT
SCHEMBL9744018 0.87 KDM4E (0.50) L3MBTL1KDM4ECTDSP1TDP1MAPT
SCHEMBL9744694 0.87 KDM4E (0.53) L3MBTL1KDM4ECTDSP1TDP1HPGD
Water SCHEMBL9397892 0.86 KDM4E (0.48) L3MBTL1KDM4ECTDSP1TDP1MAPT
Iodide SCHEMBL9397810 0.86 KDM4E (0.48) L3MBTL1KDM4ECTDSP1TDP1MAPT

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