SCHEMBL7072983

SCHEMBL7072983

Cc1ccsc1C(Cl)C=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
ADRA1D P25100 2/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PKM P14618 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GSK3B P49841 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 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
SCHEMBL9633509 0.76
SCHEMBL6882418 0.76 ALOX5 (0.41) ALOX5ADRA1DNPC1RAB9APKM
SCHEMBL2720668 0.71 NPC1 (0.38) ALOX5ADRA1DNPC1RAB9APKM
SCHEMBL827163 0.69
SCHEMBL6315132 0.68 ALOX5 (0.41) ALOX5ADRA1DNPC1RAB9APKM
SCHEMBL14923162 0.67
SCHEMBL9639925 0.67 ALOX5 (0.51) ALOX5ADRA1DNPC1RAB9AL3MBTL1
SCHEMBL11202396 0.66
SCHEMBL11151827 0.66
SCHEMBL19122447 0.66 ALOX5 (0.46) ALOX5ADRA1DNPC1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003055479-A1 COMPOUNDS AND THEIR THERAPEUTIC USE RELATED TO THE PHOSPHORYLATING ACTIVITY OF THE ENZYME GSK-3 CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2003-07-10 WO disclosed