SCHEMBL9537836

SCHEMBL9537836

C=CCc1ccc2nc3ccc(=O)cc-3oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.59
CYP1A2 P05177 2/20 0.55
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
ALPL P05186 1/20 0.35
POLB P06746 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
XDH P47989 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 2/20 0.33
ALDH2 P05091 1/20 0.33
GABRA1 P14867 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
Water SCHEMBL18894321 0.99 APP (0.58) APPCYP1A2MAPTKDM4EMEN1
SCHEMBL563769 0.82 APP (0.66) APPCYP1A2MAPTKDM4EMEN1
SCHEMBL10167845 0.82 APP (0.68) APPCYP1A2MAPTKDM4EMEN1
SCHEMBL10208641 0.80 APP (0.64) APPCYP1A2MAPTKDM4EMEN1
SCHEMBL18641343 0.80 APP (0.63) APPCYP1A2MAPTKDM4EMEN1
SCHEMBL6998321 0.79 APP (0.67) APPCYP1A2MAPTKDM4EMEN1
SCHEMBL1094100 0.79 APP (0.59) APPCYP1A2MAPTKDM4EMEN1
SCHEMBL24179877 0.79 APP (0.72) APPCYP1A2ALDH1A1GAAHPGD
SCHEMBL7002876 0.77 APP (0.66) APPCYP1A2MAPTKDM4EMEN1
SCHEMBL738742 0.77 APP (0.59) APPCYP1A2MAPT

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