SCHEMBL7207300

SCHEMBL7207300

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)C1OC1C(=O)NCCc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
CAPN1 P07384 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
MMP14 P50281 1/20 0.46
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 2/20 0.41
PYGL P06737 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
SLC12A2 P55011 1/20 0.40
SLC12A5 Q9H2X9 1/20 0.40
MMP3 P08254 1/20 0.39

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
SCHEMBL7207304 1.00 KMT2A (0.53) KMT2ACAPN1MMP9MMP8MMP14
SCHEMBL14513402 1.00 KMT2A (0.53) KMT2ACAPN1MMP9MMP8MMP14
SCHEMBL29706360 1.00 KMT2A (0.53) KMT2ACAPN1MMP9MMP8MMP14
SCHEMBL8205498 0.90 MMP9 (0.43) KMT2ACAPN1MMP9MMP8MMP14
SCHEMBL7211686 0.90 MMP9 (0.43) KMT2ACAPN1MMP9MMP8MMP14
SCHEMBL7203966 0.88 MMP9 (0.53) KMT2AMMP9MMP8MMP14ALDH1A1
SCHEMBL7203960 0.88 MMP9 (0.53) KMT2AMMP9MMP8MMP14ALDH1A1
SCHEMBL7204429 0.87 KMT2A (0.59) KMT2ACAPN1MMP8ALDH1A1TSHR
SCHEMBL7204422 0.87 KMT2A (0.59) KMT2ACAPN1MMP8ALDH1A1TSHR
SCHEMBL7211698 0.87 MMP9 (0.43) KMT2ACAPN1MMP9MMP8MMP14

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