SCHEMBL22845092

SCHEMBL22845092

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 6/20 0.46
▸ HDAC1 Q13547 6/20 0.46
▸ CA2 P00918 4/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TERT O14746 2/20 0.39
▸ BRD4 O60885 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 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
SCHEMBL22845010 0.89 HDAC3 (0.47) HDAC3HDAC1CA2SMN1; SMN2TERT
SCHEMBL22845020 0.88 HDAC3 (0.48) HDAC3HDAC1CA2SMN1; SMN2TERT
SCHEMBL29531265 0.84 SMN1; SMN2 (0.41) HDAC3HDAC1CA2SMN1; SMN2HPGD
SCHEMBL22845091 0.84 SMN1; SMN2 (0.41) HDAC3HDAC1CA2SMN1; SMN2HPGD
SCHEMBL29531130 0.82 SMN1; SMN2 (0.51) HDAC3HDAC1CA2SMN1; SMN2HPGD
SCHEMBL22844978 0.81 SMN1; SMN2 (0.44) HDAC3HDAC1CA2SMN1; SMN2HPGD
SCHEMBL21142116 0.76 SMN1; SMN2 (0.66) HDAC3HDAC1CA2SMN1; SMN2TERT
SCHEMBL22845012 0.75 SMN1; SMN2 (0.41) HDAC3HDAC1CA2SMN1; SMN2HPGD
SCHEMBL22833140 0.75 SMN1; SMN2 (0.41) HDAC3HDAC1CA2SMN1; SMN2HPGD
SCHEMBL29872250 0.75 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
Send feedback