SCHEMBL6624800

SCHEMBL6624800

Cc1ccc([N+](=O)[O-])cc1-c1ccccc1.O=C(O)c1ccc([N+](=O)[O-])cc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.54
MAX P61244 1/20 0.54
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
CYP3A4 P08684 2/20 0.50
ALOX15 P16050 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
MAPT P10636 5/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
ALOX12 P18054 1/20 0.49
PTGS2 P35354 2/20 0.49
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 2/20 0.47
TP53 P04637 1/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47

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
SCHEMBL630072 0.91 MYC (0.62) MYCMAXALDH1A1KMT2ATDP1
SCHEMBL31376933 0.91 MYC (0.62) MYCMAXALDH1A1KMT2ATDP1
SCHEMBL629839 0.88 PTGS2 (0.59) ALDH1A1KMT2ATDP1CYP3A4PTGDR2
SCHEMBL6775511 0.86 ALDH1A1 (0.53) MYCMAXALDH1A1KMT2ATDP1
SCHEMBL5696813 0.84 ALDH1A1 (0.54) MYCMAXALDH1A1KMT2ATDP1
SCHEMBL9474889 0.84 ALDH1A1 (0.60) MYCMAXALDH1A1KMT2ATDP1
SCHEMBL5696845 0.83 MAPT (0.56) MYCMAXALDH1A1KMT2ATDP1
SCHEMBL6536344 0.82 TDP1 (0.58) MYCMAXALDH1A1TDP1CYP3A4
SCHEMBL9186591 0.82 TDP1 (0.58) MYCMAXALDH1A1TDP1CYP3A4
Hydrochloric Acid SCHEMBL8529252 0.82 ALDH1A1 (0.56) MYCMAXALDH1A1KMT2ATDP1

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
EP-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 EP disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed
EP-0873123-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-10-28 EP disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 WO disclosed