SCHEMBL9574265

SCHEMBL9574265

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.38
RAB9A P51151 2/20 0.37
ATM Q13315 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9574263 0.88 MAPT (0.40) DPP8DPP9ALDH1A1MAPTRAB9A
SCHEMBL8439013 0.84 DPP8 (0.36) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL8435826 0.82 EPHX2 (0.38) DPP8DPP9ALDH1A1MAPTRAB9A
SCHEMBL8435100 0.82 ALDH1A1 (0.38) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL9574384 0.81 ALDH1A1 (0.36) DPP8DPP9ALDH1A1MAPTRAB9A
SCHEMBL9574276 0.81 ALDH1A1 (0.36) DPP8DPP9ALDH1A1MAPTRAB9A
SCHEMBL8435951 0.81 SMN1; SMN2 (0.37) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL9877543 0.79 RAB9A (0.44) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL9574308 0.78 ATM (0.38) DPP8DPP9ALDH1A1MAPTGAA
SCHEMBL9724490 0.77 RAB9A (0.41) ALDH1A1MAPTRAB9AATMHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed