SCHEMBL6637526

SCHEMBL6637526

CNC(CO)c1ccc(OCCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.46
GPR88 Q9GZN0 7/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC2A1 P11166 1/20 0.42
ACHE P22303 1/20 0.41
SLC6A4 P31645 1/20 0.41
APP P05067 2/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL6634314 0.80 GPR88 (0.54) GPR88ALDH1A1
SCHEMBL14019014 0.80 GPR88 (0.54) GPR88ALDH1A1
SCHEMBL16333280 0.79 KMT2A (0.48) GPR88ALDH1A1SMN1; SMN2
SCHEMBL16333281 0.79 KMT2A (0.48) GPR88ALDH1A1SMN1; SMN2
SCHEMBL16379888 0.77 ALDH1A1 (0.42) NR1I2ALDH1A1SLC2A1ACHESLC6A4
SCHEMBL17483396 0.76 MEN1 (0.43) GPR88ALDH1A1GAA
SCHEMBL347372 0.76 ALDH1A1 (0.54) NR1I2ALDH1A1RECQLCYP3A4SMN1; SMN2
SCHEMBL5551011 0.76 RAB9A (0.54) NR1I2ALDH1A1RECQLCYP3A4SMN1; SMN2
SCHEMBL9818175 0.75 ALDH1A1 (0.58) NR1I2ALDH1A1RECQLCYP3A4SMN1; SMN2
SCHEMBL28784948 0.75 NR1I2 (0.49) NR1I2ALDH1A1RECQLCYP3A4SMN1; SMN2

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-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 EP disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 WO disclosed