SCHEMBL8435100

SCHEMBL8435100

CN1C[C@@H](S)C[C@H]1C(=O)NCCN(C(=N)N)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
GAA P10253 1/20 0.35
CCR5 P51681 3/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL8440844 0.89 MAPT (0.37) ALDH1A1MAPTDPP8DPP9ATM
SCHEMBL9574265 0.82 DPP8 (0.40) ALDH1A1MAPTDPP8DPP9GAA
SCHEMBL8439011 0.78 ATM (0.38) ALDH1A1MAPTCCR5ATMHPGD
SCHEMBL5669278 0.78 SIGMAR1 (0.35) ALDH1A1DPP8DPP9CCR5
SCHEMBL8435822 0.76 CCR5 (0.39) ALDH1A1CCR5
SCHEMBL8436096 0.75 CCR5 (0.39) ALDH1A1CCR5
SCHEMBL8440761 0.75 CCR5 (0.39) ALDH1A1CCR5
SCHEMBL9877400 0.75 RAB9A (0.45) ALDH1A1MAPTRAB9A
SCHEMBL8436425 0.73 MCHR1 (0.39) ALDH1A1MAPTCCR5ATMHPGD
SCHEMBL8448811 0.72 ALDH1A1 (0.34) ALDH1A1DPP8DPP9CCR5

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
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed