SCHEMBL8104461

SCHEMBL8104461

O=C(C[C@H](O)[C@@H]1C[C@H](S)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
RECQL P46063 1/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.37
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
POLB P06746 2/20 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
SCHEMBL8588975 1.00 KMT2A (0.45) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL8102746 1.00 KMT2A (0.45) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL8102735 1.00 KMT2A (0.45) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL8095107 0.94 KMT2A (0.41) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL8104577 0.90 DPP8 (0.36) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL8108943 0.87 DPP8 (0.36) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL8095116 0.87 DPP8 (0.42) KMT2AALDH1A1SMN1; SMN2LMNADPP8
SCHEMBL10701426 0.87 RAB9A (0.40) ALDH1A1MAPTDPP8DPP9TDP1
SCHEMBL8102914 0.86 DPP8 (0.37) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL8102893 0.86 DPP8 (0.37) KMT2AALDH1A1SMN1; SMN2LMNAMAPT

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