SCHEMBL8907892

SCHEMBL8907892

Cc1ccc(S(=O)(=O)OCC2CCC(C(N)=O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
TAS2R14 Q9NYV8 2/20 0.43
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
ENPP2 Q13822 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
STAT3 P40763 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 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
SCHEMBL8899789 1.00 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CYP2C9TAS2R14
SCHEMBL23387620 0.87 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CYP2C9TAS2R14
SCHEMBL20501797 0.87 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1CYP2C9TAS2R14
SCHEMBL23387619 0.87 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CYP2C9TAS2R14
SCHEMBL7032005 0.87 CYP2D6 (0.45) ALDH1A1KMT2AMEN1CYP2C9ENPP3
SCHEMBL26655196 0.87 CYP2D6 (0.45) ALDH1A1KMT2AMEN1CYP2C9ENPP3
SCHEMBL7166740 0.87 CYP2D6 (0.45) ALDH1A1KMT2AMEN1CYP2C9ENPP3
SCHEMBL26655167 0.87 CYP2D6 (0.45) ALDH1A1KMT2AMEN1CYP2C9ENPP3
SCHEMBL21987511 0.85 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1CYP2C9TAS2R14
SCHEMBL8258339 0.85 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1CYP2C9TAS2R14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed