SCHEMBL4573335

SCHEMBL4573335

CN(C(=O)O)C1CSc2sccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
HTT P42858 3/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARG P37231 1/20 0.36
RAB9A P51151 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
BCAT2 O15382 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL11533101 0.71 KMT2A (0.40) HPGDHTTNPC1ALDH1A1PPARG
SCHEMBL4573032 0.70 CA2 (0.46)
SCHEMBL28808246 0.70 ALDH1A1 (0.36) HPGDHTTNPC1ALDH1A1PPARG
SCHEMBL7288669 0.64 HTT (0.41) HPGDHTTNPC1ALDH1A1PPARG
SCHEMBL7296162 0.63 MAPK1 (0.35) HPGDHTTNPC1ALDH1A1PPARG
SCHEMBL8791735 0.59
SCHEMBL16138608 0.58 HPGD (0.46) HPGDHTTNPC1ALDH1A1PPARG
SCHEMBL10539247 0.57 KMT2A (0.38) L3MBTL1
SCHEMBL566998 0.56 MAPK1 (0.43) HPGDHTTNPC1ALDH1A1PPARG
SCHEMBL10652126 0.55 KMT2A (0.33)

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-2008075148-A2 TRICYCLIC INHIBITORS OF CARBONIC ANHYDRASE PFIZER PRODUCTS INC. (US) 2008-06-26 WO disclosed