SCHEMBL6977459

SCHEMBL6977459

O=C(C1CCN(c2ccncn2)CC1)N1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.93

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.93
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
F10 P00742 1/20 0.49
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CNR1 P21554 1/20 0.47
CHRM1 P11229 1/20 0.47

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
SCHEMBL7336119 0.96 LSS (1.00) LSSF10KMT2AL3MBTL1NPSR1
SCHEMBL6184180 0.92 LSS (0.92) LSSNPC1RAB9AHPGDALDH1A1
Acetonitrile SCHEMBL6181195 0.91 LSS (0.89) LSSNPC1RAB9AF10L3MBTL1
SCHEMBL6981670 0.91 LSS (0.76) LSSNPC1RAB9AF10KMT2A
SCHEMBL6977162 0.90 LSS (0.75) LSSNPC1KMT2AL3MBTL1HPGD
SCHEMBL6980904 0.85 LSS (0.68) LSSNPC1RAB9AL3MBTL1HPGD
SCHEMBL6977994 0.85 LSS (0.93) LSSNPC1RAB9AL3MBTL1HPGD
SCHEMBL6184509 0.84 LSS (0.77) LSSF10L3MBTL1NPSR1CNR1
SCHEMBL6180071 0.82 LSS (0.75) LSSF10NPSR1CNR1CHRM1
SCHEMBL7401658 0.82 LSS (1.00) LSSF10L3MBTL1CNR1CHRM1

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