SCHEMBL8102914

SCHEMBL8102914

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 1/20 0.32
RECQL P46063 1/20 0.32
KCNJ1 P48048 1/20 0.32
KCNH2 Q12809 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 4/20 0.31
LMNA P02545 1/20 0.31
TGM2 P21980 1/20 0.31
KDM4E B2RXH2 2/20 0.31
DPP4 P27487 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1G O43497 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL8102893 1.00 DPP8 (0.37) DPP8DPP9KMT2AP2RX7RECQL
SCHEMBL8540671 0.88 HSD11B1 (0.36) DPP8DPP9KMT2AALDH1A1MAPT
SCHEMBL8104461 0.86 KMT2A (0.45) DPP8DPP9KMT2ARECQLKCNJ1
SCHEMBL8588975 0.86 KMT2A (0.45) DPP8DPP9KMT2ARECQLKCNJ1
SCHEMBL8102735 0.86 KMT2A (0.45) DPP8DPP9KMT2ARECQLKCNJ1
SCHEMBL8102746 0.86 KMT2A (0.45) DPP8DPP9KMT2ARECQLKCNJ1
SCHEMBL8540340 0.86 HSD11B1 (0.36) DPP8DPP9KMT2AALDH1A1LMNA
SCHEMBL8537616 0.86 HSD11B1 (0.36) DPP8DPP9KMT2AALDH1A1LMNA
SCHEMBL8540343 0.86 HSD11B1 (0.36) DPP8DPP9KMT2AALDH1A1LMNA
SCHEMBL8537617 0.86 HSD11B1 (0.36) 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