SCHEMBL7203214

SCHEMBL7203214

Cc1ncc([N+](=O)[O-])n1CCNC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
EGFR P00533 4/20 0.42
ERBB2 P04626 4/20 0.42
CA1 P00915 7/20 0.41
CA2 P00918 7/20 0.41
CA9 Q16790 7/20 0.41
CA12 O43570 5/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
ALDH1A1 P00352 3/20 0.40
THRB P10828 2/20 0.40
ATM Q13315 1/20 0.40
GLA P06280 1/20 0.39
LMNA P02545 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
SCHEMBL7203211 1.00 MEN1 (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7205747 0.78 ALDH1A1 (0.47) MEN1KMT2AMMP9MMP8MMP14
SCHEMBL7205745 0.78 ALDH1A1 (0.47) MEN1KMT2AMMP9MMP8MMP14
SCHEMBL7203960 0.77 MMP9 (0.53) KMT2ACYP3A4MMP9MMP8MMP14
SCHEMBL7203966 0.77 MMP9 (0.53) KMT2ACYP3A4MMP9MMP8MMP14
SCHEMBL5587642 0.76 MMP9 (0.63) KMT2AMMP9MMP8MMP14LMNA
SCHEMBL14513403 0.76 MMP9 (0.63) KMT2AMMP9MMP8MMP14LMNA
SCHEMBL14513402 0.76 KMT2A (0.53) KMT2ACYP1A2MMP9MMP8MMP14
SCHEMBL7207304 0.76 KMT2A (0.53) KMT2ACYP1A2MMP9MMP8MMP14
SCHEMBL29706360 0.76 KMT2A (0.53) KMT2ACYP1A2MMP9MMP8MMP14

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