SCHEMBL6977537

SCHEMBL6977537

Cc1nccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)CC2)n1

nearest known ligand 0.93

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.93
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 3/20 0.52
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 2/20 0.52
USP2 O75604 1/20 0.52
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 3/20 0.49
HTT P42858 1/20 0.49
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL6182258 0.96 LSS (1.00) LSSNPC1RAB9ALMNAMAPK1
SCHEMBL6977994 0.93 LSS (0.93) LSSNPC1RAB9ATSHRALDH1A1
SCHEMBL8309729 0.90 LSS (0.89) LSSNPC1RAB9ALMNAMAPK1
SCHEMBL6974183 0.90 LSS (0.76) LSSNPC1RAB9ALMNAMAPK1
SCHEMBL8310078 0.87 LSS (0.83) LSSNPC1RAB9ALMNAMAPK1
SCHEMBL6977387 0.87 LSS (0.76) LSSLMNAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL6184180 0.84 LSS (0.92) LSSNPC1RAB9ALMNAMAPK1
SCHEMBL6978604 0.83 LSS (0.71) LSSLMNAHSD17B10MAPTSMN1; SMN2
SCHEMBL6980932 0.83 LSS (0.77) LSSNPC1RAB9AALDH1A1GAA
SCHEMBL7658217 0.82 LSS (0.66) LSSHSD17B10MAPTSMN1; SMN2ALDH1A1

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 2 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