SCHEMBL7653392

SCHEMBL7653392

CCN1CCCN(c2c(C)cccc2Cl)C1=S

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.32
PLA2G1B P04054 1/20 0.32
ALOX12 P18054 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATG4B Q9Y4P1 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
SCHEMBL7654466 0.86 P2RX7 (0.38) P2RX7KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL7653034 0.84 P2RX7 (0.36) P2RX7KMT2AMEN1L3MBTL1LMNA
SCHEMBL7656238 0.81 P2RX7 (0.36) P2RX7KMT2AMEN1HDAC4HDAC8
SCHEMBL7650716 0.81 P2RX7 (0.34) P2RX7KMT2AMEN1HDAC4HDAC8
SCHEMBL7652049 0.76 HTR2C (0.39) P2RX7KMT2AL3MBTL1POLB
SCHEMBL8526757 0.75 MEN1 (0.50) P2RX7KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL7648847 0.72 LMNA (0.38) P2RX7KMT2AMEN1ALDH1A1POLB
SCHEMBL7650742 0.72 MEN1 (0.42) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL8665062 0.71 MEN1 (0.62) P2RX7KMT2AMEN1LMNA
SCHEMBL11419208 0.67 INMT (0.40) KMT2AMEN1

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
US-6340687-B1 ELEVATE HIGH DENSITY LIPOPROTEIN CHOLESTEROL CONCENTRATION AMERICAN HOME PRODUCTS CORPORATION 2002-01-22 US claimed
WO-1999011630-A1 SUBSTITUTED TETRAHYDRO-PYRIMIDINE-2(1H)-THIONE HDL-C ELEVATORS USEFUL AS ANTIATHEROSCLEROTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-03-11 WO claimed
US-6340687-B1 ELEVATE HIGH DENSITY LIPOPROTEIN CHOLESTEROL CONCENTRATION AMERICAN HOME PRODUCTS CORPORATION 2002-01-22 US disclosed
WO-1999011630-A1 SUBSTITUTED TETRAHYDRO-PYRIMIDINE-2(1H)-THIONE HDL-C ELEVATORS USEFUL AS ANTIATHEROSCLEROTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-03-11 WO disclosed