SCHEMBL28567948

SCHEMBL28567948

CCCCCCCCOS(=O)(=O)[O-].CCCCCn1cc[n+](C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.64
MEN1 O00255 2/20 0.64
HSP90AA1 P07900 2/20 0.64
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
APAF1 O14727 1/20 0.64
NPC1 O15118 1/20 0.64
PLA2G1B P04054 1/20 0.64
MAPT P10636 1/20 0.64
HTT P42858 1/20 0.64
RAB9A P51151 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ATG4B Q9Y4P1 1/20 0.64
RECQL P46063 2/20 0.54
GLA P06280 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
EPHX2 P34913 1/20 0.54
BLM P54132 1/20 0.54
FDPS P14324 15/20 0.39

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
SCHEMBL1416679 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416588 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416565 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416692 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416670 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416563 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL5961696 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416736 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416690 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416512 0.97 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; 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
CN-107801401-B Cleaning composition with ionic liquid 约翰逊父子公司 2021-06-04 CN disclosed