SCHEMBL6941351

SCHEMBL6941351

O=C(NCCSCC(=O)N1CCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
PREP P48147 2/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.35
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
TGM2 P21980 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL6943983 0.89 DPP8 (0.49) DPP8DPP9PREPRECQLKMT2A
SCHEMBL6941021 0.88 DPP8 (0.44) DPP8DPP9PREPRECQLKMT2A
SCHEMBL6943475 0.87 DPP8 (0.44) DPP8DPP9PREPRECQLKMT2A
SCHEMBL6940996 0.86 HDAC1 (0.38) DPP8DPP9RECQLKMT2ATGM2
SCHEMBL6940993 0.86 HDAC1 (0.38) DPP8DPP9RECQLKMT2ATGM2
SCHEMBL6946787 0.85 DPP8 (0.42) DPP8DPP9PREPRECQLKMT2A
SCHEMBL6945227 0.85 DPP8 (0.51) DPP8DPP9PREPALDH1A1TGM2
SCHEMBL9728223 0.82 DPP8 (0.46) DPP8DPP9
SCHEMBL9040433 0.81 ALDH1A1 (0.41) KMT2AALDH1A1GAAMAPTATM
SCHEMBL9040592 0.81 ALDH1A1 (0.41) KMT2AALDH1A1GAAMAPTATM

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-0641795-B9 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2003-01-29 EP disclosed
EP-0641795-B1 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2002-09-25 EP disclosed
EP-0641795-A1 CARBAPENEM DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed