SCHEMBL22845010

SCHEMBL22845010

NCCOCCOCCOCCNC(=O)c1ccc(NC(=O)CCl)c(NC(=O)CCl)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.47
▸ HDAC1 Q13547 3/20 0.47
▸ CA2 P00918 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HPGD P15428 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ TERT O14746 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ BRD4 O60885 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL29531130 0.94 SMN1; SMN2 (0.51) HDAC3HDAC1CA2SMN1; SMN2HPGD
SCHEMBL22845020 0.89 HDAC3 (0.48) HDAC3HDAC1CA2SMN1; SMN2HPGD
SCHEMBL22845092 0.89 HDAC3 (0.46) HDAC3HDAC1CA2SMN1; SMN2HPGD
SCHEMBL22845012 0.83 SMN1; SMN2 (0.41) HDAC3HDAC1CA2SMN1; SMN2HPGD
SCHEMBL29531296 0.83 SMN1; SMN2 (0.41) HDAC3HDAC1CA2SMN1; SMN2HPGD
SCHEMBL22844929 0.81 SMN1; SMN2 (0.46) HDAC3HDAC1CA2SMN1; SMN2HPGD
SCHEMBL21142116 0.77 SMN1; SMN2 (0.66) HDAC3HDAC1CA2SMN1; SMN2HPGD
SCHEMBL14386036 0.74 SMN1; SMN2 (0.61) HDAC3HDAC1CA2SMN1; SMN2HPGD
SCHEMBL29531265 0.74 SMN1; SMN2 (0.41) HDAC3HDAC1CA2SMN1; SMN2HPGD
SCHEMBL29872250 0.74 SMN1; SMN2 (0.41) HDAC3HDAC1CA2SMN1; SMN2HPGD

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
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