SCHEMBL19733079

SCHEMBL19733079

CCCc1cc(-c2nc(-c3ccc(Br)cc3)c(OC(=O)O)s2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 14/20 0.56
MAPT P10636 3/20 0.55
ATM Q13315 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55
RECQL P46063 1/20 0.55
ALDH1A1 P00352 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
CDC7 O00311 2/20 0.41
DBF4 Q9UBU7 2/20 0.41
SREBF1 P36956 1/20 0.41

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
SCHEMBL19733086 0.91 SREBF2 (0.55) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL4283901 0.85 SREBF2 (0.58) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL4288916 0.82 SREBF2 (0.55) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL4279577 0.80 SREBF2 (0.53) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL4279440 0.76 SREBF2 (0.57) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL4286484 0.76 CDC7 (0.60) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL4286677 0.74 SREBF2 (0.54) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL4286504 0.72 SREBF2 (1.00) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL15953491 0.72 SREBF2 (0.64) SREBF2MAPTATML3MBTL1KDM4E
SCHEMBL4293667 0.71 SREBF2 (0.69) SREBF2MAPTATML3MBTL1KDM4E

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