SCHEMBL6975890

SCHEMBL6975890

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.52
FPR2 P25090 2/20 0.50
PROKR1 Q8TCW9 2/20 0.50
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GPR183 P32249 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6977941 0.86 TGM2 (0.56) ALDH1A1GAAPOLBPKMSMN1; SMN2
SCHEMBL6980266 0.81 CYP2D6 (0.54) ALDH1A1GPR183
SCHEMBL27562279 0.78 KMT2A (0.43) NEK2FPR2PROKR1ALDH1A1GAA
SCHEMBL16013324 0.77 HSD11B1 (0.62) ALDH1A1GPR183LMNA
SCHEMBL6520496 0.76 ALDH1A1 (0.58) ALDH1A1GAACYP2C9POLBPKM
SCHEMBL6948417 0.76 ALDH1A1 (0.81) ALDH1A1GAAPOLBPKMLMNA
SCHEMBL13548570 0.74 POLB (0.64) FPR2PROKR1ALDH1A1GAACYP2C9
SCHEMBL504642 0.74 ALDH1A1 (0.53) ALDH1A1CYP2C9POLBPKMSMN1; SMN2
SCHEMBL18065510 0.74 ALDH1A1 (0.48) ALDH1A1GPR183LMNA
SCHEMBL612745 0.73 ALDH1A1 (0.54) ALDH1A1MAPTCYP2C9POLBSMN1; 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 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