SCHEMBL22844962

SCHEMBL22844962

CCC(=O)Nc1cc(NC(=O)CC)cc(C(=O)NCCOCCOCCOCCN)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CA2 P00918 4/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.38
▸ NAMPT P43490 2/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL22844929 0.88 SMN1; SMN2 (0.46) SMN1; SMN2CA2KMT2AHDAC3HDAC1
SCHEMBL22844978 0.87 SMN1; SMN2 (0.44) SMN1; SMN2CA2KMT2AHDAC3HDAC1
SCHEMBL22845020 0.81 HDAC3 (0.48) SMN1; SMN2CA2HDAC3HDAC1NAMPT
SCHEMBL17039696 0.77 SMN1; SMN2 (0.48) SMN1; SMN2CA2KMT2AHDAC3HDAC1
SCHEMBL23485055 0.75 MEN1 (0.48) SMN1; SMN2CA2KMT2AMEN1CA12
SCHEMBL17835144 0.75 MEN1 (0.48) SMN1; SMN2CA2KMT2AMEN1CA12
SCHEMBL29342531 0.75 MEN1 (0.48) SMN1; SMN2CA2KMT2AMEN1CA12
SCHEMBL17860028 0.74 MEN1 (0.50) CA2KMT2AMEN1CA12CA1
SCHEMBL21142116 0.74 SMN1; SMN2 (0.66) SMN1; SMN2CA2KMT2AHDAC3HDAC1
SCHEMBL16619189 0.73 SMN1; SMN2 (0.57) SMN1; SMN2KMT2AHDAC3HDAC1MEN1

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-2020260514-A1 BIS(2-HALOACETAMIDO)-COMPOUNDS FOR USE AS LINKING AGENTS AND RESULTANT PRODUCTS WHICH COMPRISE ANTIBODIES, HALF-ANTIBODIES AND ANTIBODY FRAGMENTS THE UNIVERSITY OF BATH (GB) 2020-12-30 — — WO disclosed
Send feedback