SCHEMBL8438657

SCHEMBL8438657

O=C(N=CN1CCN(C(=O)[C@@H]2C[C@H](S)CN2C=NC(=O)OCc2ccc([N+](=O)[O-])cc2)CC1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.37
MCHR1 Q99705 4/20 0.36
NPBWR1 P48145 3/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 1/20 0.35
CCR5 P51681 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 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 0.97 RECQL (0.38) RECQLTDP1ATMMCHR1NPBWR1
SCHEMBL8434836 0.91 KMT2A (0.39) TDP1MCHR1NPBWR1DPP8DPP9
SCHEMBL8576679 0.90 CCR5 (0.37) TDP1CCR5
SCHEMBL8438542 0.90 ALDH1A1 (0.36) RECQLTDP1ATMMCHR1NPBWR1
SCHEMBL8440372 0.88 RECQL (0.37) RECQLTDP1ATMMCHR1NPBWR1
SCHEMBL8440852 0.88 RECQL (0.37) RECQLTDP1MCHR1NPBWR1DPP8
SCHEMBL8440273 0.87 RECQL (0.36) RECQLTDP1ATMMCHR1NPBWR1
Trifluoromethanesulfonic Acid SCHEMBL8436309 0.86 KMT2A (0.36) TDP1MCHR1NPBWR1DPP8DPP9
SCHEMBL8539867 0.85 SIGMAR1 (0.35) TDP1ATMDPP8DPP9KMT2A
SCHEMBL8441151 0.84 MCHR1 (0.35) RECQLTDP1ATMMCHR1NPBWR1

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