SCHEMBL7365082

SCHEMBL7365082

COc1ccc(C(CN)c2ccc([N+](=O)[O-])cc2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
RAB9A P51151 1/20 0.48
TLR9 Q9NR96 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 2/20 0.44
GAA P10253 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP19A1 P11511 1/20 0.43

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
SCHEMBL8204965 0.78 LOXL2 (0.55) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL7397261 0.78 PDE4A (0.56)
SCHEMBL31375357 0.77 TDP1 (0.64) MAPTHPGDMEN1KMT2ARAB9A
SCHEMBL443353 0.77 TDP1 (0.64) MAPTHPGDMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL10687747 0.77 LOXL2 (0.53) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL3250031 0.76 TDP1 (0.62) MAPTHPGDMEN1KMT2ARAB9A
SCHEMBL3250030 0.76 TDP1 (0.62) MAPTHPGDMEN1KMT2ARAB9A
Potassium SCHEMBL1531376 0.76 TDP1 (0.62) MAPTHPGDMEN1KMT2ARAB9A
Ammonia Solution, Strong SCHEMBL28302338 0.76 TDP1 (0.62) MAPTHPGDMEN1KMT2ARAB9A
SCHEMBL237798 0.76 TDP1 (0.62) MAPTHPGDMEN1KMT2ARAB9A

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
EP-0538384-A4 OXAMIDES SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP disclosed
US-5393788-A Phenylalkyl oxamides SMITHKLINE BEECHAM CORPORATION (US) 1995-02-28 US disclosed
EP-0538384-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 EP disclosed
WO-1992000968-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 WO disclosed