SCHEMBL7697989

SCHEMBL7697989

O=COC(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.50
TP53 P04637 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44
NPC1 O15118 1/20 0.43
SRD5A2 P31213 1/20 0.42
ATM Q13315 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
PTGES O14684 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7697991 1.00 ALOX5 (0.50) ALOX5TP53MEN1KMT2ATDP1
SCHEMBL7697986 0.93 ALOX5 (0.51) ALOX5TP53MEN1KMT2ATDP1
SCHEMBL15751973 0.91 ALOX5 (0.54) ALOX5TDP1SMN1; SMN2CYP3A4PTPN2
SCHEMBL7232896 0.84 ALOX5 (0.46) ALOX5TP53MEN1KMT2ATDP1
SCHEMBL232779 0.84 TP53 (0.64) ALOX5TP53MEN1KMT2ATDP1
SCHEMBL6415003 0.84 POLB (0.42) TP53TDP1SMN1; SMN2HTTKDM4E
SCHEMBL28557809 0.82 TP53 (0.55) ALOX5TP53MEN1KMT2ATDP1
SCHEMBL9133420 0.82 TP53 (0.62) ALOX5TP53MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL3088495 0.82 TP53 (0.62) ALOX5TP53MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL2299193 0.82 TP53 (0.62) ALOX5TP53MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002002520-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO disclosed