SCHEMBL9744140

SCHEMBL9744140

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.56
MAPT P10636 3/20 0.42
HPGD P15428 6/20 0.41
NR1I2 O75469 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
DNMT1 P26358 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
SLC22A11 Q9NSA0 1/20 0.41
ALDH1A1 P00352 6/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
ESR1 P03372 1/20 0.39
PGR P06401 1/20 0.39
PTGS2 P35354 1/20 0.39
KDR P35968 1/20 0.39
PTGS1 P23219 1/20 0.38
MAPK1 P28482 2/20 0.38
ADRA2B P18089 1/20 0.38
HSD17B10 Q99714 5/20 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
SCHEMBL9744130 1.00 KDM4E (0.56) KDM4EMAPTHPGDNR1I2TDP1
SCHEMBL9743976 0.89 NR1I2 (0.55) KDM4EMAPTHPGDNR1I2TDP1
SCHEMBL9743985 0.89 NR1I2 (0.55) KDM4EMAPTHPGDNR1I2TDP1
SCHEMBL9745731 0.89 ALDH1A1 (0.57) KDM4EMAPTHPGDALDH1A1HSD17B10
SCHEMBL9744166 0.88 L3MBTL1 (0.54) KDM4EMAPTHPGDNR1I2TDP1
SCHEMBL9744184 0.88 L3MBTL1 (0.54) KDM4EMAPTHPGDNR1I2TDP1
SCHEMBL9744018 0.87 KDM4E (0.50) KDM4EMAPTHPGDNR1I2TDP1
SCHEMBL9744180 0.85 DRD3 (0.55) KDM4EHPGDALDH1A1HSD17B10
SCHEMBL9020827 0.84 KDM4E (0.54) KDM4EMAPTHPGDTDP1ALDH1A1
SCHEMBL9745004 0.82 NR1I2 (0.62) MAPTNR1I2TDP1SLC22A6SLC22A8

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