SCHEMBL8527399

SCHEMBL8527399

CCN1CCC(=O)N(c2ccc(Cl)cc2C)C1=S

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.40
AKR1C3 P42330 1/20 0.38
USP2 O75604 1/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CRHR1 P34998 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 2/20 0.35
MAPT P10636 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35

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
SCHEMBL8585347 0.90 KMT2A (0.53) KMT2AMEN1ALDH1A1USP2GAA
SCHEMBL8716448 0.76 KMT2A (0.64) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL8919380 0.75 KMT2A (0.48) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL7648847 0.75 LMNA (0.38) KMT2AMEN1ALDH1A1AKR1C3KDM4E
SCHEMBL8660441 0.75 MEN1 (0.50) KMT2AMEN1GAAMAPT
SCHEMBL8526757 0.74 MEN1 (0.50) KMT2AMEN1ALDH1A1POLBGAA
SCHEMBL8710977 0.74 KMT2A (0.44) KMT2AMEN1TP53HPGDALDH1A1
SCHEMBL8527236 0.74 MEN1 (0.56) KMT2AMEN1TP53HPGDALDH1A1
SCHEMBL8476145 0.73 LMNA (0.46) KMT2AMEN1TP53HPGDALDH1A1
SCHEMBL6097903 0.73 ALDH1A1 (0.39) KMT2AMEN1TP53HPGDALDH1A1

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