SCHEMBL14948189

SCHEMBL14948189

O=C(CS)NCCOCCOCCOCCOCCOCCOCCOCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37
CA2 P00918 5/20 0.35
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
ALDH1A1 P00352 2/20 0.34
ATG4B Q9Y4P1 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
NCF1 P14598 1/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC3 O15379 2/20 0.33

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
SCHEMBL5140536 0.85 MEN1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1HDAC1
SCHEMBL20822014 0.83 MEN1 (0.48) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL12376985 0.83 TSHR (0.48) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL12313843 0.81 TSHR (0.46) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL4270081 0.81 TSHR (0.46) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL24115645 0.80 MEN1 (0.50) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL20822013 0.80 MEN1 (0.44) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL14464260 0.80 MEN1 (0.50) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL26255469 0.80 MEN1 (0.44) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL19224374 0.79 MEN1 (0.42) MEN1KMT2ATSHRSMN1; SMN2CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160139143-A1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MEDICAL SYSTEMS, INC. 2016-05-19 US disclosed
US-9291597-B2 Detecting targets using mass tags and mass spectrometry VENTANA MEDICAL SYSTEMS, INC. (US) 2016-03-22 US disclosed
US-20130122516-A1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MEDICAL SYSTEMS, INC. 2013-05-16 US disclosed