SCHEMBL7205745

SCHEMBL7205745

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C1OC1C(=O)NCCNc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 2/20 0.45
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
NPC1 O15118 3/20 0.39
DPP4 P27487 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
MAPK8 P45983 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 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
SCHEMBL7205747 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2POLBMMP9MMP8
SCHEMBL7207456 0.86 MMP9 (0.42) MMP9MMP8MMP14
SCHEMBL7207452 0.86 MMP9 (0.42) MMP9MMP8MMP14
SCHEMBL7203214 0.78 MEN1 (0.47) ALDH1A1MMP9MMP8MMP14MEN1
SCHEMBL7203211 0.78 MEN1 (0.47) ALDH1A1MMP9MMP8MMP14MEN1
SCHEMBL7203960 0.77 MMP9 (0.53) ALDH1A1MMP9MMP8MMP14NPC1
SCHEMBL7203966 0.77 MMP9 (0.53) ALDH1A1MMP9MMP8MMP14NPC1
SCHEMBL5587642 0.77 MMP9 (0.63) MMP9MMP8MMP14KMT2ALMNA
SCHEMBL14513403 0.77 MMP9 (0.63) MMP9MMP8MMP14KMT2ALMNA
SCHEMBL7204401 0.77 MMP9 (0.44) ALDH1A1SMN1; SMN2MMP9MMP8MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921122-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2003-05-21 EP disclosed
US-6110967-A USEFUL AS AGENTS FOR PREVENTING AND TREATING METABOLIC OSTEOPATHY SUCH AS OSTEOPOROSIS, HYPERCALCEMIA AND BONE METASTASIS OF CANCER BECAUSE THEY SPECIFICALLY INHIBITS CATHEPSIN L AND ITS FAMILY ENZYMES TO INHIBIT BONE RESORPTION TAIHO PHARMACEUTICALS CO., LTD. (JP) 2000-08-29 US disclosed
EP-0921122-A1 NOVEL EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-06-09 EP disclosed