SCHEMBL18072176

SCHEMBL18072176

NC(=O)CCCCCNCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
SOAT1 P35610 2/20 0.39
MEN1 O00255 1/20 0.39
FAAH O00519 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
PRMT1 Q99873 1/20 0.38
PAOX Q6QHF9 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRA1A P35348 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL21350355 0.81
SCHEMBL372593 0.80 TSHR (0.60) MEN1KMT2APRMT1ALDH1A1ADRA1A
SCHEMBL11811606 0.80 TSHR (0.60) MEN1KMT2APRMT1ALDH1A1ADRA1A
SCHEMBL517606 0.78 KMT2A (0.52) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL25293705 0.78 KMT2A (0.52) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL25288050 0.78 KMT2A (0.52) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL699936 0.78 KMT2A (0.52) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL727151 0.78 KMT2A (0.52) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL10536662 0.78 KMT2A (0.52) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL25293609 0.78 KMT2A (0.52) SOAT1MEN1FAAHTP53CYP1A2

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
US-20160264968-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. 2016-09-15 US disclosed