SCHEMBL7212202

SCHEMBL7212202

CN([SiH3])CCCCCOc1ccc2c(c1)CCCN2S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.47
MAOB P27338 6/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 3/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
TP53 P04637 2/20 0.38

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
SCHEMBL7212241 0.88 HRH3 (0.48) HRH3MAOBMEN1KMT2AMAPT
SCHEMBL5637830 0.86 LSS (0.48) HRH3MEN1KMT2A
SCHEMBL5635676 0.86 LSS (0.48) HRH3MEN1KMT2A
SCHEMBL5636080 0.85 LSS (0.47) HRH3MEN1KMT2A
SCHEMBL5638059 0.78 LSS (0.48) MEN1KMT2A
SCHEMBL7218423 0.78 TSHR (0.55) MAPTTP53
SCHEMBL5639304 0.72 LSS (0.47) HRH3MEN1KMT2AMAPTBCL2L1
SCHEMBL5639302 0.72 LSS (0.47) HRH3MEN1KMT2AMAPTBCL2L1
SCHEMBL5638718 0.71 MEN1 (0.59) HRH3MEN1KMT2AMAPTBCL2L1
SCHEMBL5638357 0.71 LSS (0.48) HRH3MEN1KMT2A

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-1358162-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
WO-2002050041-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 WO disclosed