SCHEMBL8108943

SCHEMBL8108943

N=C(N)C1CN(C(=O)OCc2ccc([N+](=O)[O-])cc2)CCN1C(=O)CC(O)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
OPRK1 P41145 1/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL8102746 0.87 KMT2A (0.45) DPP8DPP9KMT2AALDH1A1LMNA
SCHEMBL8102735 0.87 KMT2A (0.45) DPP8DPP9KMT2AALDH1A1LMNA
SCHEMBL8588975 0.87 KMT2A (0.45) DPP8DPP9KMT2AALDH1A1LMNA
SCHEMBL8104461 0.87 KMT2A (0.45) DPP8DPP9KMT2AALDH1A1LMNA
SCHEMBL8104577 0.85 DPP8 (0.36) DPP8DPP9KMT2AALDH1A1LMNA
SCHEMBL10701426 0.84 RAB9A (0.40) DPP8DPP9ALDH1A1DPP4DPP7
SCHEMBL8095107 0.83 KMT2A (0.41) DPP8DPP9KMT2AALDH1A1LMNA
SCHEMBL8102657 0.80 CCR5 (0.36) ALDH1A1LMNA
SCHEMBL8095227 0.80 HSD11B1 (0.40) DPP8DPP9ALDH1A1
SCHEMBL8095063 0.80 HSD11B1 (0.40) DPP8DPP9ALDH1A1

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