SCHEMBL7301828

SCHEMBL7301828

O=C(CNC(=O)c1ccccc1[N+](=O)[O-])OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CTSD P07339 1/20 0.54
HTT P42858 3/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL15610559 0.87 RAB9A (0.65) RAB9AALDH1A1MEN1KMT2AHTT
SCHEMBL15610145 0.84 RAB9A (0.56) RAB9AALDH1A1MEN1KMT2AHPGD
SCHEMBL9268117 0.82 HPGD (0.62) ALDH1A1MEN1KMT2ACTSDHTT
SCHEMBL15609584 0.81 RAB9A (0.65) RAB9AALDH1A1MEN1KMT2AHPGD
SCHEMBL13108487 0.81 CTSD (0.59) ALDH1A1MEN1KMT2ACTSDHTT
SCHEMBL15610320 0.81 RAB9A (0.53) RAB9AALDH1A1MEN1KMT2AHTT
SCHEMBL3897907 0.81 CTSD (0.66) ALDH1A1MEN1KMT2ACTSDHTT
SCHEMBL19246188 0.79 KMT2A (0.75) ALDH1A1MEN1KMT2ACTSDHTT
SCHEMBL30236290 0.79 KMT2A (0.75) ALDH1A1MEN1KMT2ACTSDHTT
SCHEMBL2706463 0.79 ALDH1A1 (0.61) RAB9AALDH1A1MEN1KMT2ACTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354855-A Preparation method of cilansetrot sodium 江苏百奥信康医药科技有限公司 2023-06-30 CN claimed
CN-116354855-B Preparation method of cilansetrot sodium 江苏百奥信康医药科技有限公司 2024-02-02 CN disclosed
CN-116354855-B Preparation method of cilansetrot sodium 江苏百奥信康医药科技有限公司 2024-02-02 CN disclosed
CN-116354855-A Preparation method of cilansetrot sodium 江苏百奥信康医药科技有限公司 2023-06-30 CN disclosed
CN-116354855-A Preparation method of cilansetrot sodium 江苏百奥信康医药科技有限公司 2023-06-30 CN disclosed
US-5359121-A N-(o-(p-pivaloyloxybenzenesulfonylamino)benzoyl)glycine benzyl ester; elastase inhibitor; useful for treatment of emphysema, atherosclerosis, rheumatoid arthritis ONO PHARMACEUTICAL CO., LTD. (JP) 1994-10-25 US disclosed
EP-0539223-A1 Glycine derivative monosodium salt tetrahydrate having an inhibitory effect on elastase ONO PHARMACEUTICAL CO., LTD. (JP) 1993-04-28 EP disclosed