SCHEMBL22845009

SCHEMBL22845009

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
POLB P06746 2/20 0.61
KDM4E B2RXH2 4/20 0.60
LMNA P02545 1/20 0.58
ALDH1A1 P00352 6/20 0.57
HSD17B10 Q99714 2/20 0.57
MEN1 O00255 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
BLM P54132 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
MAPT P10636 2/20 0.50
NR4A1 P22736 1/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 1/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTPN11 Q06124 1/20 0.49

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
SCHEMBL16397384 0.90 GAA (0.55) KMT2APOLBKDM4ELMNAALDH1A1
SCHEMBL3090260 0.84 POLB (0.67) KMT2APOLBLMNAALDH1A1MEN1
SCHEMBL9494272 0.84 CYP2C19 (0.58) KMT2AKDM4ELMNAALDH1A1HSD17B10
SCHEMBL22833103 0.84 KDM4E (0.54) KMT2AKDM4ELMNAALDH1A1HSD17B10
SCHEMBL22833046 0.84 KDM4E (0.54) KMT2AKDM4ELMNAALDH1A1HSD17B10
SCHEMBL22833186 0.84 KDM4E (0.54) KMT2AKDM4ELMNAALDH1A1HSD17B10
SCHEMBL12270435 0.83 KDM4E (0.62) KMT2AKDM4ELMNAALDH1A1HSD17B10
SCHEMBL9030520 0.83 L3MBTL1 (0.68) KMT2APOLBLMNAALDH1A1MEN1
SCHEMBL18172333 0.82 KDM4E (0.50) KMT2APOLBKDM4ELMNAALDH1A1
SCHEMBL1819402 0.82 KDM4E (0.61) KMT2AKDM4ELMNAALDH1A1HSD17B10

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