SCHEMBL6973403

SCHEMBL6973403

CCc1nccc(N2CCN(C(=O)N3CCN(S(=O)(=O)c4ccccc4Br)CC3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SORD Q00796 4/20 0.45
GBA1 P04062 2/20 0.44
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
GPR183 P32249 1/20 0.42
LSS P48449 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL6978270 0.76 LSS (0.48) GBA1LMNAPKMALDH1A1KDM4E
SCHEMBL8308275 0.76 SORD (0.42) SORDGBA1LMNAPKMALDH1A1
SCHEMBL6979382 0.74 LSS (0.48) GBA1LMNAPKMALDH1A1KDM4E
SCHEMBL8522043 0.74 LSS (0.48) GBA1LMNAPKMALDH1A1KDM4E
SCHEMBL6969184 0.72 LSS (0.54) SORDGBA1LMNAPKMALDH1A1
SCHEMBL15916798 0.71 GPR183 (0.57) GBA1LMNAPKMALDH1A1KDM4E
SCHEMBL6977387 0.70 LSS (0.76) GBA1LMNAALDH1A1KDM4EGPR183
SCHEMBL15915961 0.70 SMN1; SMN2 (0.64) GBA1LMNAPKMALDH1A1KDM4E
SCHEMBL15916747 0.69 KDM4E (0.69) GBA1LMNAALDH1A1KDM4E
SCHEMBL7659315 0.69 POLB (0.42) GBA1ALDH1A1KDM4ELSSHSD17B10

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