SCHEMBL28548845

SCHEMBL28548845

CCCCCCCCCCCCCCCCn1cc[n+](C(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
HSP90AA1 P07900 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
APAF1 O14727 1/20 0.59
NPC1 O15118 1/20 0.59
PLA2G1B P04054 1/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59
FDPS P14324 17/20 0.44

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
SCHEMBL21834817 1.00 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL28547528 1.00 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL17131174 1.00 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL21834765 1.00 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL21834833 1.00 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL17131176 0.98 MEN1 (0.56) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL3762952 0.93 MEN1 (0.49) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Formic Acid SCHEMBL28564597 0.91 MEN1 (0.50) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL3767086 0.85 MEN1 (0.39) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL28843238 0.83 MEN1 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112703184-A Process for producing amide compound, and amide compound 广荣化学株式会社 2021-04-23 CN disclosed