SCHEMBL8527401

SCHEMBL8527401

CCn1ccc(=O)n(-c2ccc(Cl)cc2C)c1=S

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK14 Q16539 2/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MYC P01106 1/20 0.35
NR4A1 P22736 1/20 0.35
GFER P55789 1/20 0.34
OPRM1 P35372 1/20 0.34
AOC3 Q16853 1/20 0.33
MAPT P10636 1/20 0.33
LPO P22079 1/20 0.33
MAPK11 Q15759 1/20 0.32
AKR1C3 P42330 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8585350 0.89 MEN1 (0.45) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL8526760 0.73 PKM (0.36) MAPK14KMT2AMEN1LPONPSR1
SCHEMBL8527238 0.73 LPO (0.36) ALDH1A1KMT2AMEN1MAPTLPO
SCHEMBL8526952 0.71 HSD17B10 (0.38) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL8584396 0.69 FAAH (0.42) ALDH1A1KDM4EMAPTLPO
SCHEMBL8584050 0.69 KMT2A (0.40) ALDH1A1KMT2AMEN1LPO
SCHEMBL23505897 0.67 AOC3 (0.42) ALDH1A1AOC3MAPTSMN1; SMN2
SCHEMBL6097903 0.67 ALDH1A1 (0.39) ALDH1A1KDM4EMAPK14KMT2AMEN1
SCHEMBL2297694 0.66 LPO (0.40) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL8527399 0.63 KMT2A (0.43) ALDH1A1KDM4EKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885197-A1 2-THIOXOTETRAHYDROPYRIMIDIN-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 EP claimed
US-5807864-A INCREASING HIGH DENSITY LIPOPROTEIN LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-09-15 US claimed
WO-1997032855-A1 2-THIOXOTETRAHYDROPYRIMIDIN-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-12 WO claimed
US-5807864-A INCREASING HIGH DENSITY LIPOPROTEIN LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-09-15 US disclosed