SCHEMBL7659315

SCHEMBL7659315

Cc1nccc(N2CCN(CC3(C)CCN(S(=O)(=O)c4ccccc4Br)CC3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
LSS P48449 1/20 0.41
ALDH1A1 P00352 3/20 0.39
GBA1 P04062 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSS P25774 1/20 0.36
CHRM4 P08173 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6979382 0.82 LSS (0.48) POLBLSSALDH1A1GBA1KDM4E
SCHEMBL6978270 0.76 LSS (0.48) POLBLSSALDH1A1GBA1KDM4E
SCHEMBL8522043 0.75 LSS (0.48) POLBLSSALDH1A1GBA1KDM4E
SCHEMBL6973403 0.69 SORD (0.45) LSSALDH1A1GBA1KDM4EHSD17B10
SCHEMBL7658217 0.67 LSS (0.66) LSSALDH1A1GBA1KDM4EMEN1
SCHEMBL15916747 0.66 KDM4E (0.69) POLBALDH1A1GBA1KDM4ECHRM4
SCHEMBL15915961 0.66 SMN1; SMN2 (0.64) POLBALDH1A1GBA1KDM4EMEN1
SCHEMBL9514844 0.66 ALDH1A1 (0.52) LSSALDH1A1GBA1MEN1KMT2A
SCHEMBL9513912 0.66 LMNA (0.53) LSSALDH1A1GBA1KDM4ECTSS
SCHEMBL8466387 0.66 LSS (0.48) LSSALDH1A1GBA1KDM4EHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6335341-B1 ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 2002-01-01 US disclosed