SCHEMBL4793145

SCHEMBL4793145

CCN1CCNC1=O.CCn1cc[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
RAB9A P51151 1/20 0.33
PDE4B Q07343 1/20 0.32
PER2 O15055 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL3594632 0.81
SCHEMBL301524 0.79
Ammonia Solution, Strong SCHEMBL530826 0.77
Piperazine SCHEMBL5713414 0.74 KMT2A (0.43) KMT2AMEN1SMN1; SMN2POLBALDH1A1
SCHEMBL6869257 0.68
SCHEMBL19291821 0.66 SMN1; SMN2 (0.47) KMT2AMEN1SMN1; SMN2POLBALDH1A1
SCHEMBL24188802 0.66
Methacrylic Acid SCHEMBL521992 0.66 KMT2A (0.40) KMT2AMEN1SMN1; SMN2POLBALDH1A1
Acrylic Acid SCHEMBL7945092 0.66 KMT2A (0.38) KMT2AMEN1SMN1; SMN2POLBALDH1A1
SCHEMBL530148 0.65 TDP1 (0.40) KMT2AMEN1SMN1; SMN2POLBALDH1A1

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-1987042-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS sanofi-aventis (FR) 2008-11-05 EP disclosed
WO-2007093365-A2 NOVEL AMINO ALCOHOL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO disclosed