SCHEMBL8525685

SCHEMBL8525685

CCC1CNC(=S)N(c2ccccc2F)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.40
LMNA P02545 2/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 2/20 0.40
MCL1 Q07820 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
TNKS2 Q9H2K2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8527036 0.82 FAAH (0.46) MGLLMEN1KMT2AMAPTALDH1A1
SCHEMBL8525857 0.75 HTR2B (0.40) MEN1KMT2AALDH1A1POLBPKM
SCHEMBL8526108 0.73 ALDH1A1 (0.42) ALDH1A1KDM4EPABPC1CMA1
SCHEMBL8527235 0.71 KMT2A (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10569729 0.67 KMT2A (0.46) MGLLMEN1KMT2AMAPTALDH1A1
SCHEMBL30457623 0.65 MEN1 (0.77) MGLLMEN1KMT2AHTTMAPT
SCHEMBL8526950 0.63 KMT2A (0.41) MGLLMEN1KMT2AHTTMAPT
SCHEMBL11543595 0.62 KMT2A (0.62) MGLLMEN1KMT2AALDH1A1LMNA
SCHEMBL28494976 0.62 KMT2A (0.58) MGLLMEN1KMT2AHTTMAPT
SCHEMBL28933339 0.62 KMT2A (0.61) MGLLMEN1KMT2AMAPTALDH1A1

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 2 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
WO-1997032855-A1 2-THIOXOTETRAHYDROPYRIMIDIN-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-12 WO claimed