SCHEMBL6546039

SCHEMBL6546039

CC(=O)N(c1ccc(Br)cc1)c1ccc(NC(=O)C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.43
KMT2A Q03164 10/20 0.43
ALDH1A1 P00352 5/20 0.43
ALOX12 P18054 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MAPT P10636 7/20 0.40
POLB P06746 2/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
RECQL P46063 2/20 0.39
DUSP3 P51452 1/20 0.39
MAPK1 P28482 2/20 0.37
HPGD P15428 1/20 0.37
DNMT1 P26358 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL7053858 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1ALOX12RAB9A
SCHEMBL6545781 0.94 MEN1 (0.46) MEN1KMT2AALDH1A1ALOX12RAB9A
SCHEMBL7054234 0.94 MEN1 (0.46) MEN1KMT2AALDH1A1ALOX12RAB9A
SCHEMBL7051474 0.91 MEN1 (0.42) MEN1KMT2AALDH1A1ALOX12RAB9A
SCHEMBL6546525 0.91 MEN1 (0.42) MEN1KMT2AALDH1A1ALOX12RAB9A
SCHEMBL7054846 0.90 MEN1 (0.46) MEN1KMT2AALDH1A1RAB9AHDAC1
SCHEMBL6545634 0.90 MEN1 (0.46) MEN1KMT2AALDH1A1RAB9AHDAC1
SCHEMBL6545859 0.83 MAPT (0.46) MEN1KMT2AALDH1A1RAB9AHDAC1
SCHEMBL6546015 0.82 MEN1 (0.52) MEN1KMT2AALDH1A1ALOX12RAB9A
SCHEMBL7052138 0.82 MEN1 (0.52) MEN1KMT2AALDH1A1ALOX12RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257265-B1 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2004-01-21 EP disclosed
EP-1303258-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE AstraZeneca AB (SE) 2003-04-23 EP disclosed
EP-0936208-B1 Process for the preparation of 2-cycloalkenones BASF AG (DE) 2003-04-23 EP disclosed
WO-2002003958-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE ASTRAZENECA AB (SE) 2002-01-17 WO disclosed
EP-0936208-A1 Process for the preparation of 2-cycloalkenones BASF AKTIENGESELLSCHAFT (DE) 1999-08-18 EP disclosed