SCHEMBL7653537

SCHEMBL7653537

O=S(=O)(c1ccc(Br)cc1)N1CCN(CC2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.66
TPSAB1 Q15661 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HTR7 P34969 2/20 0.47
HTR6 P50406 2/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
F10 P00742 1/20 0.45
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL8112377 0.89 TPSAB1 (0.61) LSSTPSAB1HTR7HTR6F10
SCHEMBL8121856 0.86 LSS (0.57) LSSTPSAB1ALDH1A1HTR7HTR6
SCHEMBL7662786 0.86 LSS (0.53) LSSTPSAB1L3MBTL1ALDH1A1HTR7
SCHEMBL7956164 0.85 LSS (0.70) LSSL3MBTL1ALDH1A1CYP3A4CYP2C9
SCHEMBL7651857 0.84 LSS (0.50) LSSTPSAB1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8120701 0.82 TPSAB1 (0.74) LSSTPSAB1ALDH1A1HTR7HTR6
SCHEMBL7662833 0.81 TP53 (0.62) LSSL3MBTL1
SCHEMBL8124161 0.81 F10 (0.69) TPSAB1HTR7HTR6F10
SCHEMBL7401658 0.80 LSS (1.00) LSSL3MBTL1SMN1; SMN2F10MAPK1
SCHEMBL8121200 0.78 TPSAB1 (0.62) LSSTPSAB1HTR7HTR6CYP3A4

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