SCHEMBL6970581

SCHEMBL6970581

O=C(C1CCN(c2cc(Cl)ncn2)CC1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.56
CNR1 P21554 4/20 0.52
F10 P00742 1/20 0.50
NPSR1 Q6W5P4 3/20 0.49
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 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
SCHEMBL6978502 0.96 LSS (0.52) LSSCNR1NPSR1KDM4EL3MBTL1
SCHEMBL6979430 0.88 LSS (0.72) LSSCNR1F10NPSR1L3MBTL1
SCHEMBL6975446 0.88 KDM4E (0.53) CNR1NPSR1KDM4EL3MBTL1LMNA
SCHEMBL6981045 0.86 LSS (0.54) LSSCNR1KDM4EL3MBTL1ALDH1A1
SCHEMBL6980671 0.83 CCR6 (0.51) LSSCNR1KDM4EL3MBTL1LMNA
SCHEMBL7654951 0.76 LSS (0.72) LSSCNR1L3MBTL1LMNASMN1; SMN2
SCHEMBL6980850 0.76 LSS (0.61) LSSCNR1LMNASMN1; SMN2ALDH1A1
SCHEMBL7449226 0.76 LSS (0.59) LSSCNR1F10NPSR1L3MBTL1
SCHEMBL6975703 0.74 LSS (0.53) LSSKDM4EL3MBTL1LMNAALDH1A1
SCHEMBL7085163 0.74 LSS (0.69) LSSCNR1NPSR1L3MBTL1ALDH1A1

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 5 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
CN-1228087-A Substituted pyrimidine derivatives and their pharmaceutical use ZENECA LTD (GB) 1999-09-08 CN 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