SCHEMBL7102939

SCHEMBL7102939

O=C(O)c1c2ccccc2nc2cc(OCc3cccc([N+](=O)[O-])c3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.54
MAOA P21397 1/20 0.54
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC2A1 P11166 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
FFAR1 O14842 1/20 0.48
RAB9A P51151 1/20 0.47
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 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
SCHEMBL9598007 0.91 MAPT (0.57) MAOBMAOAMAPTALDH1A1KDM4E
SCHEMBL9598115 0.83 GABRA1 (0.45) MAOBMAOAMAPTALDH1A1KDM4E
SCHEMBL9598033 0.82 MAOB (0.44) MAOBMAOAMAPTALDH1A1KDM4E
SCHEMBL7105847 0.81 MAPT (0.47) MAOBMAOAMAPTALDH1A1KDM4E
SCHEMBL4796184 0.78 HDAC3 (0.56) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL20377562 0.78 MAOB (0.60) MAOBMAOAMAPTMEN1LMNA
SCHEMBL4188548 0.77 MCL1 (0.55) FFAR1
SCHEMBL8991408 0.76 MAOB (0.79) MAOBMAOAMAPTALDH1A1MEN1
SCHEMBL8986112 0.76 MAOB (0.62) MAOBMAOAMAPTALDH1A1KDM4E
SCHEMBL6599866 0.75 MAOB (0.68) MAOBMAOAMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988551-B1 CHEMILUMINESCENT ENERGY TRANSFER CONJUGATES AND THEIR USES AS LABELS IN BINDING ASSAYS BAYER AG (US) 2003-09-10 EP disclosed
US-6165800-A Chemiluminescent energy transfer conjugates and their uses as labels in binding assays BAYER CORPORATION (US) 2000-12-26 US disclosed
EP-0988551-A2 CHEMILUMINESCENT ENERGY TRANSFER CONJUGATES AND THEIR USES AS LABELS IN BINDING ASSAYS Bayer Corporation (US) 2000-03-29 EP disclosed
WO-1998054574-A2 CHEMILUMINESCENT ENERGY TRANSFER CONJUGATES AND THEIR USES AS LABELS IN BINDING ASSAYS BAYER CORPORATION (US) 1998-12-03 WO disclosed
WO-1993020074-A1 HAPTENS, TRACERS, IMMUNOGENS AND ANTIBODIES FOR ACRIDINE-9-CARBOXYLIC ACIDS ABBOTT LABORATORIES (US) 1993-10-14 WO disclosed