SCHEMBL11568210

SCHEMBL11568210

COc1ccc2c(=O)c([N+](=O)[O-])coc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
KIF11 P52732 3/20 0.54
MAOB P27338 7/20 0.53
MAOA P21397 6/20 0.53
XDH P47989 1/20 0.53
PTGS2 P35354 1/20 0.51
POLB P06746 1/20 0.51
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
NFKB1 P19838 1/20 0.49

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
SCHEMBL11401156 0.89 ALDH1A1 (0.54) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL17992013 0.77 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL15399392 0.77 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL17988695 0.77 ALDH1A1 (0.55) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL5242625 0.76 RAB9A (0.61) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL2109107 0.76 RAB9A (0.61) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL11565649 0.76 RAB9A (0.61) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL28990293 0.76 RAB9A (0.61) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL11397717 0.75 ALOX12 (0.45) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL29817357 0.75 CYP11B1 (0.67) MAPTRAB9ANPC1SMN1; SMN2KDM4E

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-0000488-A1 3-Oxaloamino-4-oxo-4H-1-benzopyrane compounds, process for their preparation and their pharmaceutical use CIBA-GEIGY AG (CH) 1979-02-07 EP disclosed
US-4076729-A (4-Oxo-4H-1-benzopyran-3-yl)aminooxoacetic acids and their derivatives WARNER-LAMBERT COMPANY (US) 1978-02-28 US disclosed
US-4071625-A 19-Oxygenated-5α-androstanes for the enhancement of libido RICHARDSON-MERRELL INC. (US) 1978-01-31 US disclosed
US-4071624-A Androst-4-en-19-ones for the enhancement of libido RICHARDSON-MERRELL INC. (US) 1978-01-31 US disclosed
US-4066655-A 4,10-Dihydro-4,10-dioxo-1H-1-benzopyrano[3,2-b]pyridine-3-carboxylic acids, salts and esters WARNER-LAMBERT COMPANY (US) 1978-01-03 US disclosed
US-4022769-A LIBIDO ENHANCEMENT RICHARDSON-MERRELL INC. (US) 1977-05-10 US disclosed