SCHEMBL8104577

SCHEMBL8104577

N=C(CC(=O)OCc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)CC(O)[C@@H]2C[C@H](S)CN2C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.34
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL8588975 0.90 KMT2A (0.45) DPP8DPP9KMT2AALDH1A1LMNA
SCHEMBL8102746 0.90 KMT2A (0.45) DPP8DPP9KMT2AALDH1A1LMNA
SCHEMBL8102735 0.90 KMT2A (0.45) DPP8DPP9KMT2AALDH1A1LMNA
SCHEMBL8104461 0.90 KMT2A (0.45) DPP8DPP9KMT2AALDH1A1LMNA
SCHEMBL8095107 0.88 KMT2A (0.41) DPP8DPP9KMT2AALDH1A1LMNA
SCHEMBL8110282 0.87 SIGMAR1 (0.36) DPP8DPP9ALDH1A1LMNA
SCHEMBL8102759 0.86 HSD11B1 (0.34) DPP8DPP9KMT2AALDH1A1LMNA
SCHEMBL8108943 0.85 DPP8 (0.36) DPP8DPP9KMT2AALDH1A1LMNA
SCHEMBL10701426 0.83 RAB9A (0.40) DPP8DPP9ALDH1A1MAPTTDP1
SCHEMBL8095116 0.83 DPP8 (0.42) DPP8DPP9KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed