SCHEMBL8407302

SCHEMBL8407302

CC(O)(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
HTR1E P28566 1/20 0.47
S1PR3 Q99500 1/20 0.47
LMNA P02545 2/20 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
SCHEMBL8407500 0.90 MAPT (0.50) MAPTMEN1KMT2APDK1PDK2
SCHEMBL8407256 0.89 PDK1 (0.51) MAPTMEN1KMT2APDK1PDK2
SCHEMBL8410731 0.87 HSD11B1 (0.46) MAPTMEN1KMT2AL3MBTL1PDK1
SCHEMBL10967242 0.82 KMT2A (0.47) MAPTMEN1KMT2AL3MBTL1PDK1
SCHEMBL8409371 0.81 PDK1 (0.57) MAPTMEN1KMT2APDK1PDK2
SCHEMBL8407492 0.81 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL8407470 0.80 EPHX1 (0.44) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL8407128 0.80 AR (0.57) MAPTMEN1KMT2AMAPK1LMNA
SCHEMBL11000212 0.80 EPHX1 (0.46) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL10964665 0.80 EPHX1 (0.46) MAPTMEN1KMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0040932-B1 AMIDE DERIVATIVES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL OR VETERINARY COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-07-03 EP claimed
US-4386080-A 3,4-DISUBSTITUTED-N-ACYLANILINES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-05-31 US claimed
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
EP-0514056-A2 Use of estrogens or antiandrogens for reversal of male sexual phenotype in poultry MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
EP-0040932-B1 AMIDE DERIVATIVES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL OR VETERINARY COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-07-03 EP disclosed
US-4386080-A 3,4-DISUBSTITUTED-N-ACYLANILINES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-05-31 US disclosed
US-4386080-A 3,4-DISUBSTITUTED-N-ACYLANILINES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-05-31 US disclosed
EP-0040932-A1 Amide derivatives, process for their manufacture and pharmaceutical or veterinary compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-12-02 EP disclosed