SCHEMBL6975446

SCHEMBL6975446

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 3/20 0.52
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
GAA P10253 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48

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
SCHEMBL6970581 0.88 LSS (0.56) KDM4EALDH1A1L3MBTL1MAPTGAA
SCHEMBL6978502 0.88 LSS (0.52) KDM4EL3MBTL1MAPTGAANPSR1
SCHEMBL6975703 0.86 LSS (0.53) KDM4EALDH1A1L3MBTL1MAPTGAA
SCHEMBL6978885 0.85 ALDH1A1 (0.54) KDM4EALDH1A1L3MBTL1MAPTABL1
SCHEMBL7442116 0.77 L3MBTL1 (0.58) KDM4EALDH1A1L3MBTL1GAAHTT
SCHEMBL7676280 0.77 L3MBTL1 (0.53) KDM4EALDH1A1L3MBTL1ABL1BCR
SCHEMBL3613226 0.76 KDM4E (0.74) KDM4EALDH1A1L3MBTL1MAPTABL1
SCHEMBL1430146 0.74 L3MBTL1 (0.57) KDM4EALDH1A1L3MBTL1MAPTABL1
SCHEMBL6979430 0.74 LSS (0.72) ALDH1A1L3MBTL1NPSR1CNR1
SCHEMBL6980671 0.74 CCR6 (0.51) KDM4EALDH1A1L3MBTL1MAPTGAA

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