SCHEMBL14764990

SCHEMBL14764990

CS(=O)(=O)OCCCCCCCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CHRM2 P08172 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
ACHE P22303 5/20 0.51
MAOB P27338 1/20 0.51

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
SCHEMBL8269374 1.00 TDP1 (0.53) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL21071153 0.98 MAPT (0.54) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL2563647 0.94 TDP1 (0.48) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL28598566 0.94 MAPT (0.59) MAPTRAB9ASMN1; SMN2CHRM2MEN1
SCHEMBL2563689 0.92 TDP1 (0.48) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL2563598 0.92 TDP1 (0.48) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL23100793 0.90 MAPT (0.49) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL6716400 0.87 HPGD (0.55) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL1148690 0.85 MAPT (0.53) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL30001029 0.84 HPGD (0.47) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2

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
WO-2013036766-A1 SMALL MOLECULE NAPHTHOQUINONE- AND PHTHALIMIDE-BASED LIPOCATIONS AS ANTI-PARASITIC AGENTS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-03-14 WO disclosed