SCHEMBL9744018

SCHEMBL9744018

CN1CCN(c2c(F)cc3c(=O)c(C(=O)OCC4=C(C(=O)O)N5C(=O)[C@H](NC(=O)C(C(=O)O)c6ccccc6)[C@@H]5SC4)cn(CCF)c3c2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
PTGS1 P23219 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 4/20 0.42
NR1I2 O75469 3/20 0.42
SLC22A6 Q4U2R8 2/20 0.42
SLC22A8 Q8TCC7 2/20 0.42
SLC22A11 Q9NSA0 2/20 0.42
HPGD P15428 2/20 0.42
CTDSP1 Q9GZU7 2/20 0.42
DNMT1 P26358 1/20 0.42
PGR P06401 1/20 0.40
PPARG P37231 1/20 0.40
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 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
SCHEMBL9744166 0.87 L3MBTL1 (0.54) KDM4EPTGS1L3MBTL1TDP1MAPT
SCHEMBL9744184 0.87 L3MBTL1 (0.54) KDM4EPTGS1L3MBTL1TDP1MAPT
SCHEMBL9744130 0.87 KDM4E (0.56) KDM4EPTGS1L3MBTL1TDP1MAPT
SCHEMBL9744140 0.87 KDM4E (0.56) KDM4EPTGS1L3MBTL1TDP1MAPT
SCHEMBL9743976 0.85 NR1I2 (0.55) KDM4EPTGS1L3MBTL1TDP1MAPT
SCHEMBL9743985 0.85 NR1I2 (0.55) KDM4EPTGS1L3MBTL1TDP1MAPT
SCHEMBL9548110 0.82 DRD3 (0.49) KDM4EPTGS1HPGDALDH1A1HSD17B10
SCHEMBL9745378 0.79 KDM4E (0.43) KDM4EPTGS1L3MBTL1TDP1MAPT
SCHEMBL9745004 0.79 NR1I2 (0.62) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL30229691 0.79 NR1I2 (0.62) PTGS1L3MBTL1TDP1MAPTNR1I2

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