SCHEMBL19787026

SCHEMBL19787026

O=CCCCCCNC(=O)CCCCCNC(=O)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA3 P07451 2/20 0.54
CA5A P35218 2/20 0.54
CA5B Q9Y2D0 2/20 0.54
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
EPHX1 P07099 1/20 0.51
EPHX2 P34913 2/20 0.46
SLC6A5 Q9Y345 2/20 0.44
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 3/20 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
SCHEMBL9557113 0.90 MEN1 (0.73) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL20179561 0.87 MEN1 (0.65) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL17776037 0.87 EPHX2 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2EPHX2
SCHEMBL6975512 0.83 ALDH1A1 (0.68) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL18973140 0.83 EPHX2 (0.51) MEN1KMT2AALDH1A1EPHX2SLC6A5
SCHEMBL27056159 0.82 MEN1 (0.66) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL2000676 0.81 EPHX1 (0.69) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL15773253 0.80 EPHX2 (0.67) MEN1KMT2AEPHX2SLC6A5KDM4E
SCHEMBL8646274 0.80 EPHX2 (0.67) MEN1KMT2AEPHX2SLC6A5KDM4E
SCHEMBL19444376 0.80 CNR1 (0.55) MEN1KMT2AALDH1A1EPHX2SLC6A5

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
WO-2018013999-A1 NON-NUCLEOSIDIC SOLID SUPPORTS AND PHOSPHORAMIDITE BUILDING BLOCKS FOR OLIGONUCLEOTIDE SYNTHESIS AM CHEMICALS LLC (US) 2018-01-18 WO disclosed