SCHEMBL8595017

SCHEMBL8595017

COC(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ALDH1A1 P00352 3/20 0.50
TP53 P04637 1/20 0.50
HPGDS O60760 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.49
MEN1 O00255 2/20 0.48
CHRM3 P20309 1/20 0.48
MDM4 O15151 1/20 0.46
MAPT P10636 1/20 0.46
MDM2 Q00987 1/20 0.46

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
SCHEMBL9665752 0.83 KMT2A (0.53) TSHRKMT2AALDH1A1CYP3A4MAPT
SCHEMBL10117998 0.82 ALDH1A1 (0.58) KMT2ALMNAALDH1A1MEN1MAPT
SCHEMBL10117995 0.82 ALDH1A1 (0.58) KMT2ALMNAALDH1A1MEN1MAPT
SCHEMBL12436366 0.82 ALDH1A1 (0.58) KMT2ALMNAALDH1A1MEN1MAPT
SCHEMBL14820895 0.81 CTSK (0.57) TSHRKMT2ALMNAALDH1A1MEN1
SCHEMBL13506014 0.81 LMNA (0.60) TSHRKMT2ALMNARXFP1GAA
SCHEMBL193009 0.80 ATM (0.60) TSHRKMT2ALMNAALDH1A1CYP3A4
SCHEMBL7962640 0.80 KMT2A (0.50) TSHRKMT2ARXFP1ALDH1A1CYP3A4
SCHEMBL203326 0.80 ATM (0.60) TSHRKMT2ALMNAALDH1A1CYP3A4
SCHEMBL18117371 0.80 KMT2A (0.50) TSHRKMT2ARXFP1ALDH1A1CYP3A4

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
EP-2518044-B1 METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE MITSUI CHEMICALS INC (JP) 2016-04-13 EP disclosed
EP-2518044-A1 METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE Mitsui Chemicals, Inc. (JP) 2012-10-31 EP disclosed
CN-102267925-A Inorganic-liquid-acid-catalyzed post-treatment method for condensation product of phenyl carbamate 2011-12-07 CN disclosed
EP-0672653-B1 Process for producing isocyanates MITSUBISHI GAS CHEMICAL CO (JP) 1998-01-14 EP disclosed
US-5502244-A DECOMPOSING A CARBAMATE WITH SULFONIC ACID CATALYST MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-03-26 US disclosed
EP-0672653-A1 Process for producing isocyanates MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1995-09-20 EP disclosed
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP disclosed