SCHEMBL8440372

SCHEMBL8440372

CN1C[C@@H](S)C[C@H]1C(=O)N1CCCN(C=NC(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
MCHR1 Q99705 4/20 0.37
NPBWR1 P48145 3/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CCR5 P51681 2/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8438004 0.91 RECQL (0.38) RECQLMCHR1NPBWR1DPP8DPP9
Trifluoromethanesulfonic Acid SCHEMBL8440244 0.91 CCR5 (0.34) RECQLATMCCR5
SCHEMBL8440852 0.90 RECQL (0.37) RECQLMCHR1NPBWR1DPP8DPP9
SCHEMBL8441151 0.88 MCHR1 (0.35) RECQLMCHR1NPBWR1DPP8DPP9
SCHEMBL8438657 0.88 RECQL (0.39) RECQLMCHR1NPBWR1DPP8DPP9
SCHEMBL8440273 0.85 RECQL (0.36) RECQLMCHR1NPBWR1ATMTDP1
SCHEMBL8434836 0.84 KMT2A (0.39) MCHR1NPBWR1DPP8DPP9TDP1
Trifluoromethanesulfonic Acid SCHEMBL8576424 0.84 DPP8 (0.35) RECQLMCHR1NPBWR1DPP8DPP9
SCHEMBL9578034 0.83 ALDH1A1 (0.37) DPP8DPP9ATMTDP1ALDH1A1
SCHEMBL8542381 0.82 SIGMAR1 (0.35) DPP8DPP9ATMTDP1KMT2A

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
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed