SCHEMBL7858313

SCHEMBL7858313

CS(=O)(=O)O[C@@H]1C[C@@H](COc2ccccc2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAOB P27338 2/20 0.40
ATM Q13315 1/20 0.40
CCR5 P51681 2/20 0.40
MAOA P21397 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PLA2G4B P0C869 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
SCHEMBL7859907 0.88 PSEN1 (0.39) TDP1KMT2AMEN1MAOBCA12
SCHEMBL7860674 0.88 TDP1 (0.45) TDP1ATMCCR5MAPTNPC1
SCHEMBL9522440 0.87 TDP1 (0.38) TDP1MAOBATMCCR5MAPT
SCHEMBL7805407 0.86 ALDH1A1 (0.41) TDP1MAOBATMCCR5MAPT
SCHEMBL6397203 0.85 TDP1 (0.46) TDP1MAOBATMMAOAMAPT
SCHEMBL9519224 0.85 ALDH1A1 (0.37) TDP1MAOBATMCCR5MAPT
SCHEMBL9795094 0.84 ALDH1A1 (0.37) TDP1MAOBATMCCR5MAPT
SCHEMBL9520276 0.84 ALDH1A1 (0.37) TDP1MAOBATMCCR5CA12
SCHEMBL9519220 0.84 ALDH1A1 (0.37) TDP1MAOBATMCCR5CA12
SCHEMBL7859859 0.83 CCR5 (0.40) TDP1KMT2AMEN1ATMCCR5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747381-B1 CARBAPENEM DERIVATIVE BANYU PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5707987-A BACTERICIDE ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
EP-0747381-A1 CARBAPENEM DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-12-11 EP disclosed