SCHEMBL11045402

SCHEMBL11045402

O=C(OCC(Cl)(Cl)Cl)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL2177419 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9GAAMEN1
SCHEMBL12471113 0.79 L3MBTL1 (0.48) ALDH1A1CYP1A2CYP2C9GAAMEN1
SCHEMBL11041894 0.78 CTRB1 (0.42) ALDH1A1CYP1A2CYP2C9MEN1KMT2A
SCHEMBL14193248 0.76 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP2C9GAASMN1; SMN2
SCHEMBL8897656 0.76 CTRB1 (0.51) ALDH1A1CYP1A2CYP2C9MEN1MAPT
SCHEMBL426217 0.75 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9GAAMEN1
SCHEMBL29212757 0.74 ELANE (0.50) ALDH1A1GAAMEN1KMT2A
SCHEMBL31712159 0.74 GAA (0.47) ALDH1A1CYP1A2CYP2C9GAAMEN1
SCHEMBL5712625 0.73 CHRM2 (0.40) ALDH1A1
SCHEMBL4355574 0.73 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431799-A 6'-Modified fortimicin compounds ABBOTT LABORATORIES (US) 1984-02-14 US disclosed
US-4337335-A Transition metal salt complexes of polyamino organic compounds SCHERING CORPORATION (US) 1982-06-29 US disclosed
US-4230847-A Aminoglycoside antibiotic compounds SCHERING CORPORATION (US) 1980-10-28 US disclosed
US-4212859-A OXIMINATION OF AMINO PRECURSOR, ACID HYDROLYSIS, REDUCTION OF OXO GROUP SCHERING CORPORATION (US) 1980-07-15 US disclosed
EP-0000473-A1 Process for preparing aminoglycoside derivatives, novel derivatives obtained and pharmaceutical compositions containing such derivatives Technobiotic Ltd. (CH) 1979-02-07 EP disclosed
US-4136254-A PROCESS OF SELECTIVELY BLOCKING AMINO FUNCTIONS IN AMINOGLYCOSIDES USING TRANSITION METAL SALTS AND INTERMEDIATES USED THEREBY SCHERING CORPORATION (US) 1979-01-23 US disclosed