SCHEMBL8698116

SCHEMBL8698116

CCN1CC(=O)N(c2ccc3ccccc3c2)C1=S

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
MEN1 O00255 6/20 0.52
CYP3A4 P08684 1/20 0.48
POLB P06746 2/20 0.46
HSP90AA1 P07900 1/20 0.46
LMNA P02545 5/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 2/20 0.44
THRB P10828 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL11224186 0.82 ENPP2 (0.49) KMT2AMEN1CYP3A4POLBHSP90AA1
SCHEMBL6032861 0.82 KMT2A (0.63) KMT2AMEN1CYP3A4POLBLMNA
SCHEMBL8663397 0.77 KMT2A (0.53) KMT2AMEN1CYP3A4POLBLMNA
SCHEMBL6031707 0.75 KMT2A (0.54) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL8475279 0.74 KMT2A (0.60) KMT2AMEN1LMNAGAASMN1; SMN2
SCHEMBL11021065 0.73 KMT2A (0.53) KMT2AMEN1CYP3A4POLBLMNA
SCHEMBL8666034 0.73 KMT2A (0.50) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL8475297 0.72 GAA (0.64) KMT2AMEN1LMNAGAASMN1; SMN2
SCHEMBL8475522 0.72 FAAH (0.49) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL9013774 0.71 MEN1 (0.60) KMT2AMEN1CYP3A4LMNAGAA

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
US-5783707-A ANTICHOLESTEROL AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-07-21 US disclosed
US-5554607-A INCREASING HDL CHOLESTEROL AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-10 US disclosed