SCHEMBL28401671

SCHEMBL28401671

CCCCCCCn1cc[n+](C)c1.F[P-](F)(F)(F)(F)F

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.83
HSP90AA1 P07900 2/20 0.83
KMT2A Q03164 2/20 0.83
SMN1; SMN2 Q16637 2/20 0.83
APAF1 O14727 1/20 0.83
NPC1 O15118 1/20 0.83
PLA2G1B P04054 1/20 0.83
MAPT P10636 1/20 0.83
MAPK1 P28482 1/20 0.83
HTT P42858 1/20 0.83
RAB9A P51151 1/20 0.83
NPSR1 Q6W5P4 1/20 0.83
ATG4B Q9Y4P1 1/20 0.83
FDPS P14324 17/20 0.41

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
SCHEMBL27984274 1.00 MEN1 (0.83) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL21798547 1.00 MEN1 (0.83) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL28331840 1.00 MEN1 (0.83) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL27983876 1.00 MEN1 (0.83) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL31238879 1.00 MEN1 (0.83) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL23004540 1.00 MEN1 (0.83) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL28318196 1.00 MEN1 (0.83) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL20582156 1.00 MEN1 (0.83) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL25364332 0.98 MEN1 (0.80) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL19612080 0.93 MEN1 (0.71) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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
CN-108003915-B Composite solvent and method for extracting and separating aromatic hydrocarbon and alkane in diesel oil fraction 中国石油化工股份有限公司 2020-05-19 CN disclosed
CN-108018067-B Composite solvent and method for extracting and separating aromatic hydrocarbon and alkane in diesel oil fraction 中国石油化工股份有限公司 2020-05-19 CN disclosed