SCHEMBL1031014

SCHEMBL1031014

COc1cccc(-c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.49
MAOB P27338 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTR1A P08908 2/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
C5AR1 P21730 1/20 0.47
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
ABCB1 P08183 2/20 0.46
DRD2 P14416 1/20 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
SCHEMBL6364038 0.87 PTGES (0.49) PTGESALDH1A1MEN1KMT2AHTR1A
SCHEMBL20581385 0.83 CYP11B1 (0.61) PTGESALDH1A1MEN1KMT2AHTR1A
SCHEMBL20581018 0.83 CYP11B1 (0.64) ALDH1A1MEN1KMT2ARAB9AABCB1
SCHEMBL20581195 0.82 CYP19A1 (0.49) PTGESALDH1A1MEN1KMT2AHTR1A
SCHEMBL31756984 0.81 MEN1 (0.56) ALDH1A1MEN1KMT2AHTR1AADRA1D
SCHEMBL10585706 0.81 MEN1 (0.56) ALDH1A1MEN1KMT2AHTR1AADRA1D
SCHEMBL20580707 0.81 MEN1 (0.48) PTGESALDH1A1MEN1KMT2AHTR1A
SCHEMBL20580943 0.81 ABCB1 (0.51) PTGESALDH1A1MEN1KMT2AHTR1A
SCHEMBL1026336 0.80 MAOB (0.54) MAOBALDH1A1MEN1KMT2AHTR1A
SCHEMBL20581130 0.80 MEN1 (0.48) PTGESALDH1A1MEN1KMT2AHTR1A

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
EP-2150527-B1 ANTHRANILIC ACID DERIVATIVE AS ANTICANCER AGENT AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2011-01-19 EP disclosed