SCHEMBL19733076

SCHEMBL19733076

CCCc1cc(-c2nc(-c3ccc(OC(C)C(=O)O)cc3)cs2)ccn1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 17/20 0.69
MAPT P10636 3/20 0.62
ATM Q13315 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
ALDH1A1 P00352 1/20 0.62
KDM4E B2RXH2 2/20 0.61
LMNA P02545 2/20 0.61
RECQL P46063 1/20 0.61
SREBF1 P36956 1/20 0.57

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
SCHEMBL4279310 0.85 SREBF2 (0.72) SREBF2MAPTATML3MBTL1ALDH1A1
SCHEMBL19887431 0.82 SREBF2 (0.74) SREBF2MAPTATML3MBTL1ALDH1A1
SCHEMBL4292767 0.82 SREBF2 (1.00) SREBF2MAPTATML3MBTL1ALDH1A1
SCHEMBL4284843 0.81 SREBF2 (1.00) SREBF2MAPTATML3MBTL1ALDH1A1
SCHEMBL15467920 0.81 SREBF2 (0.69) SREBF2MAPTATML3MBTL1ALDH1A1
SCHEMBL4283873 0.81 SREBF2 (0.73) SREBF2MAPTATML3MBTL1ALDH1A1
SCHEMBL4285116 0.79 SREBF2 (1.00) SREBF2MAPTATML3MBTL1ALDH1A1
SCHEMBL19733085 0.79 SREBF2 (0.84) SREBF2MAPTATML3MBTL1ALDH1A1
SCHEMBL4283881 0.79 SREBF2 (1.00) SREBF2MAPTATML3MBTL1ALDH1A1
SCHEMBL19887245 0.79 SREBF2 (0.73) SREBF2MAPTATML3MBTL1ALDH1A1

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
EP-2120580-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS BAYLOR COLLEGE MEDICINE (US) 2017-12-27 EP claimed