SCHEMBL7272604

SCHEMBL7272604

COC(=O)C1=C(C)Nc2c(c(C(C)C)nn2C)C1c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
RCE1 Q9Y256 1/20 0.47
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CACNA1C Q13936 5/20 0.41
KDM4E B2RXH2 4/20 0.41
CYP1A2 P05177 4/20 0.41
CACNA1F O60840 4/20 0.41
CACNA1D Q01668 4/20 0.41
CACNA1S Q13698 4/20 0.41
ADORA3 P0DMS8 4/20 0.41
PDE1C Q14123 3/20 0.41
HPGD P15428 3/20 0.41
ABCB11 O95342 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
KCNH2 Q12809 3/20 0.41
SCN5A Q14524 3/20 0.41

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
SCHEMBL7282419 0.85 ADORA3 (0.62) KMT2AMEN1MAPTCACNA1CKDM4E
SCHEMBL7271096 0.78 CA1 (0.46) KMT2AMEN1MAPTNPSR1CACNA1C
SCHEMBL4261000 0.78 MAPT (0.56) KMT2AMEN1RCE1MAPTNPSR1
SCHEMBL3059360 0.77 KDM4E (0.64) KMT2AMEN1RCE1MAPTNPSR1
SCHEMBL7280324 0.77 ALDH1A1 (0.48) KMT2AMEN1MAPTNPSR1CACNA1C
SCHEMBL7278542 0.77 MEN1 (0.59) KMT2AMEN1MAPTCACNA1CCYP1A2
SCHEMBL7282581 0.77 ALDH1A1 (0.38) KMT2AMEN1MAPTNPSR1CACNA1C
SCHEMBL3235004 0.77 MEN1 (0.40) KMT2AMEN1RCE1MAPTNPSR1
SCHEMBL7280765 0.76 CACNA1D (0.54) KMT2AMEN1MAPTCACNA1CKDM4E
SCHEMBL7271466 0.76 CACNA1C (0.54) KMT2AMEN1MAPTCACNA1CKDM4E

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-0114273-B1 NEW PHARMACOLOGICALLY ACTIVE PYRAZOLOPYRIDINES GRUPPO LEPETIT S.p.A. (IT) 1991-11-06 EP disclosed
US-4954508-A HYPOTENSIVE GRUPPO LEPETIT S.P.A. (IT) 1990-09-04 US disclosed