SCHEMBL4574399

SCHEMBL4574399

CNC1CSc2sccc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
HTT P42858 4/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 2/20 0.31
PPARG P37231 1/20 0.31
RAB9A P51151 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CES1 P23141 1/20 0.31

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 0.72 KMT2A (0.40) HPGDHTTKDM4EMAPTPOLB
Hydrochloric Acid SCHEMBL7290256 0.72 METAP1 (0.46)
SCHEMBL7296162 0.70 MAPK1 (0.35) HPGDHTTMAPTMAPK1POLB
SCHEMBL4573335 0.69 HPGD (0.37) HPGDHTTMAPK1ALDH1A1NPC1
SCHEMBL7373118 0.62 MAPK1 (0.39) HPGDHTTMAPTMAPK1POLB
SCHEMBL7288669 0.62 HTT (0.41) HPGDHTTMAPK1POLBALDH1A1
SCHEMBL10511813 0.60 HPGD (0.40) HPGDHTTMAPK1POLBALDH1A1
SCHEMBL566998 0.60 MAPK1 (0.43) HPGDHTTKDM4EMAPTMAPK1
SCHEMBL16138608 0.59 HPGD (0.46) HPGDHTTMAPK1POLBALDH1A1
SCHEMBL8991845 0.56 RYR2 (0.43) HPGDHTTMAPTMAPK1POLB

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