SCHEMBL11268426

SCHEMBL11268426

CCOC(=O)N1C(=O)CC(Nc2ccccc2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 5/20 0.50
ALDH1A1 P00352 10/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 5/20 0.48
KDM4E B2RXH2 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 2/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL11255607 0.90 MAPT (0.56) HTTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL11261631 0.87 GAA (0.51) HTTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL11048349 0.79 GAA (0.51) GAAALDH1A1
SCHEMBL13040955 0.72 ALDH1A1 (0.68) HTTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL9327915 0.70 SMN1; SMN2 (0.76) HTTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL11043941 0.69 ALDH1A1 (0.36) SMN1; SMN2GAAALDH1A1MAPTKDM4E
SCHEMBL18911360 0.69 HTT (0.44) HTTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL7498372 0.68 HTT (0.81) HTTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL11425713 0.67 GPBAR1 (0.50) SMN1; SMN2GAAALDH1A1HPGD
SCHEMBL10770483 0.66 POLB (0.51) HTTGAAALDH1A1POLBMAPT

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
US-4353734-A PRE- AND POSTEMERGENCE CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1982-10-12 US claimed