SCHEMBL6864336

SCHEMBL6864336

c1ccc(-c2ccccc2NONc2ccccc2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.46
▸ FABP4 P15090 1/20 0.46
▸ FABP5 Q01469 1/20 0.46
▸ MCOLN3 Q8TDD5 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL29574036 0.77 FABP3 (0.67) FABP3FABP4FABP5MCOLN3LMNA
SCHEMBL2437912 0.77 FABP3 (0.67) FABP3FABP4FABP5MCOLN3LMNA
SCHEMBL2031043 0.77 HDAC1 (0.42) FABP3FABP4FABP5MCOLN3LMNA
SCHEMBL19728622 0.76 MCOLN3 (0.49) FABP3FABP4FABP5MCOLN3LMNA
SCHEMBL15605284 0.75 FABP3 (0.64) FABP3FABP4FABP5MCOLN3LMNA
SCHEMBL24205927 0.73 FABP3 (0.47) FABP3FABP4FABP5MCOLN3LMNA
SCHEMBL7447324 0.73 FABP3 (0.47) FABP3FABP4FABP5MCOLN3LMNA
SCHEMBL1039296 0.73 ALDH1A1 (0.50) FABP3FABP4FABP5MCOLN3LMNA
SCHEMBL2035371 0.73 CYP2A6 (0.48) FABP3FABP4FABP5MCOLN3LMNA
SCHEMBL5370631 0.73 FABP3 (0.62) FABP3FABP4FABP5MCOLN3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103012027-A Method for preparing diphenyl ether compound UNIV JIANGNAN 2013-04-03 — — CN disclosed
US-6797497-B1 USED TO BREAKDOWN ORGANIC COMPOUNDS INTO MORE CELL BIOMASS AND LESS COMPLEX COMPOUNDS USING HYDROXYLAMINOBENZENE MUTASE; COMPRISES NITROREDUCTASES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2004-09-28 — — US disclosed
CN-1235992-A Water-soluble fiber-reactive dyes, processes for their preparation and their use HOECHST AG (DE) 1999-11-24 — — CN disclosed
CN-1108277-A Water-soluble fibre-reactive dyes, their preparation and their use HOECHST AG (DE) 1995-09-13 — — CN disclosed
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