SCHEMBL8434836

SCHEMBL8434836

O=C(N=CN1C[C@@H](S)C[C@H]1C(=O)N1CCCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
MCHR1 Q99705 6/20 0.36
NPBWR1 P48145 5/20 0.36
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 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 0.93 RECQL (0.38) DPP8DPP9MCHR1NPBWR1TDP1
SCHEMBL8438657 0.91 RECQL (0.39) KMT2AALDH1A1MAPTDPP8DPP9
Trifluoromethanesulfonic Acid SCHEMBL8436309 0.90 KMT2A (0.36) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL8438542 0.87 ALDH1A1 (0.36) KMT2AALDH1A1MAPTDPP8DPP9
SCHEMBL8440852 0.87 RECQL (0.37) KMT2ADPP8DPP9MCHR1NPBWR1
SCHEMBL8440372 0.84 RECQL (0.37) KMT2ASMN1; SMN2ALDH1A1MAPTDPP8
SCHEMBL8539867 0.83 SIGMAR1 (0.35) KMT2AALDH1A1LMNAMAPTDPP8
SCHEMBL8439607 0.82 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL8435710 0.82 HSD11B1 (0.40) KMT2ASMN1; SMN2ALDH1A1LMNADPP8
SCHEMBL8576679 0.81 CCR5 (0.37) TDP1

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