SCHEMBL8440852

SCHEMBL8440852

O=C(N=CN1CCCN(C(=O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
MCHR1 Q99705 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPBWR1 P48145 3/20 0.36
KMT2A Q03164 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
Trifluoromethanesulfonic Acid SCHEMBL8576424 0.93 DPP8 (0.35) RECQLDPP8DPP9MCHR1TDP1
SCHEMBL8441151 0.91 MCHR1 (0.35) RECQLDPP8DPP9MCHR1TDP1
SCHEMBL8438004 0.91 RECQL (0.38) RECQLDPP8DPP9MCHR1TDP1
Trifluoromethanesulfonic Acid SCHEMBL8438656 0.91 CCR5 (0.35) RECQLDPP8DPP9MCHR1TDP1
SCHEMBL8440372 0.90 RECQL (0.37) RECQLDPP8DPP9MCHR1TDP1
SCHEMBL8440273 0.89 RECQL (0.36) RECQLMCHR1TDP1NPBWR1KMT2A
SCHEMBL8438657 0.88 RECQL (0.39) RECQLDPP8DPP9MCHR1TDP1
SCHEMBL9728223 0.88 DPP8 (0.46) DPP8DPP9MCHR1TDP1NPBWR1
SCHEMBL8539197 0.87 RECQL (0.34) RECQLDPP8DPP9TDP1KMT2A
SCHEMBL8434836 0.87 KMT2A (0.39) DPP8DPP9MCHR1TDP1NPBWR1

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 4 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
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed