SCHEMBL6977941

SCHEMBL6977941

CCOC(=O)C1(C)CCN(C(=O)OCc2ccccc2)CC1.CCOC(=O)C1(C)CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.56
F13A1 P00488 6/20 0.56
TGM1 P22735 6/20 0.56
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
APP P05067 2/20 0.44
TGM3 Q08188 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL6975890 0.86 NEK2 (0.52) POLBPKMSMN1; SMN2GAAALDH1A1
SCHEMBL629912 0.85 MEN1 (0.54) POLBSMN1; SMN2GAATSHRCYP2C19
SCHEMBL4235140 0.83 TGM2 (0.67) TGM2F13A1TGM1POLBPKM
SCHEMBL630859 0.81 MEN1 (0.50) POLBSMN1; SMN2GAATSHRCYP2C19
SCHEMBL7261681 0.78 TGM2 (0.45) TGM2F13A1TGM1POLBPKM
SCHEMBL17277447 0.77 TGM2 (0.69) TGM2F13A1TGM1POLBPKM
SCHEMBL3971768 0.77 TGM2 (0.69) TGM2F13A1TGM1POLBPKM
SCHEMBL8394062 0.75 TGM2 (0.65) TGM2F13A1TGM1POLBPKM
SCHEMBL6938176 0.75 MEN1 (0.56) POLBSMN1; SMN2GAATSHRCYP2C19
SCHEMBL29365580 0.75 SMN1; SMN2 (0.56) SMN1; SMN2CYP2C19KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925286-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2003-01-02 EP disclosed
US-6093718-A AN OXIDO-SQUALENE CYCLASE INHIBITOR, ANTICHOLESTEROL AGENT FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND LOWERING CHOLESTEROL LEVELS IN BLOOD PLASMA; TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS ZENECA LIMITED (GB) 2000-07-25 US disclosed
EP-0925286-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1999-06-30 EP disclosed
WO-1998006705-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1998-02-19 WO disclosed