SCHEMBL27752736

SCHEMBL27752736

NN(OCc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
AKR1C3 P42330 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
MAOB P27338 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
PLA2G4B P0C869 1/20 0.46
TSHR P16473 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL16096077 0.78 ALDH1A1 (0.47) IDO1RAB9ANPC1TSHRCA1
SCHEMBL8551384 0.77 CRHBP (0.53) IDO1RAB9ANPC1CRHBPCRHR2
SCHEMBL37665 0.75 AKR1C3 (0.62) IDO1AKR1C3RAB9ANPC1MAOB
Bicarbonate SCHEMBL7693242 0.75 IDO1 (0.59) IDO1AKR1C3RAB9ANPC1LOXL2
SCHEMBL6046672 0.75 RAB9A (0.54) IDO1RAB9ANPC1CRHBPCRHR2
SCHEMBL3687614 0.74 RAB9A (0.67) IDO1AKR1C3RAB9ANPC1LOXL2
SCHEMBL31022840 0.74 IDO1 (0.50) IDO1AKR1C3RAB9ANPC1LOXL2
SCHEMBL6046632 0.74 RAB9A (0.50) IDO1AKR1C3RAB9ANPC1MAOB
Hydrochloric Acid SCHEMBL11843534 0.73 IDO1 (0.61) IDO1AKR1C3RAB9ANPC1MAOB
SCHEMBL1013 0.73 IDO1 (0.62) IDO1AKR1C3RAB9ALOXL2MAOB

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
CN-101516969-B Targeted polylysine dendrimer therapeutic agent modified macromolecule 2 STARPHARMA PTY LTD 2013-07-03 CN disclosed
CN-101631818-B Polylysine dendrimer contrast agent imaging macromolecule STARPHARMA PTY LTD 2013-02-06 CN disclosed
CN-101631818-A Polylysine dendrimer contrast agent STARPHARMA PTY LTD 2010-01-20 CN disclosed
CN-101516969-A Targeted polylysine dendrimer therapeutic agent STARPHARMA PTY LTD (AU) 2009-08-26 CN disclosed