SCHEMBL9538200

SCHEMBL9538200

O=C(O)c1ccc2nc3ccc(=O)cc-3oc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.68
CYP1A2 P05177 1/20 0.55
TTR P02766 3/20 0.49
ALB P02768 1/20 0.49
MAOA P21397 1/20 0.49
CNR1 P21554 1/20 0.49
DRD1 P21728 1/20 0.49
OPRD1 P41143 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE3A Q14432 1/20 0.49
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.39
NSD2 O96028 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
PABPC1 P11940 1/20 0.39
TNNI3 P19429 1/20 0.39

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
Pyridine SCHEMBL8601041 0.88 APP (0.54) APPCYP1A2TTRALBMAOA
SCHEMBL9538736 0.87 APP (0.66) APPCYP1A2TTRALBMAOA
SCHEMBL5085776 0.87 APP (0.61) APPCYP1A2MEN1ALDH1A1POLB
Benzoic Acid SCHEMBL21043906 0.84 APP (0.78) APPCYP1A2PDE4DMEN1ALDH1A1
SCHEMBL9749591 0.82 APP (0.59) APPCYP1A2
SCHEMBL8066 0.81 APP (1.00) APPCYP1A2PDE4DMEN1POLB
Acetic Acid SCHEMBL233000 0.81 APP (0.86) APPCYP1A2PDE4DMEN1POLB
SCHEMBL31026258 0.80 ALDH1A1 (0.63) APPCYP1A2TTRALBMAOA
SCHEMBL7113427 0.79 APP (0.97) APPCYP1A2PDE4DMEN1POLB
SCHEMBL29456578 0.79 APP (0.97) APPCYP1A2PDE4DMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5242805-A Useful in directingcells producing enzymes that hydrolyze the glycoside MOLECULAR PROBES, INC. (US) 1993-09-07 US disclosed
WO-1993004074-A1 LONG WAVELENGTH LIPOPHILIC FLUOROGENIC GLYCOSIDASE SUBSTRATES MOLECULAR PROBES, INC. (US) 1993-03-04 WO disclosed