SCHEMBL16504265

SCHEMBL16504265

CCCN(CCC)CCC(=O)NC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 4/20 0.43
LMNA P02545 1/20 0.43
ICMT O60725 2/20 0.40
ALB P02768 2/20 0.40
MCL1 Q07820 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTSD P07339 1/20 0.34
KDM5A P29375 1/20 0.34

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
SCHEMBL12791153 1.00 TERT (0.43) TERTLMNAICMTALBMCL1
SCHEMBL17433022 0.90 TERT (0.38) TERTLMNAICMTALBMCL1
SCHEMBL12791476 0.88 LMNA (0.48) TERTLMNAICMTALBMCL1
SCHEMBL12791503 0.88 LMNA (0.48) TERTLMNAICMTALBMCL1
SCHEMBL25135193 0.87 ICMT (0.49) LMNAICMTALBCA12CA9
SCHEMBL10002238 0.87 ICMT (0.49) LMNAICMTALBCA12CA9
SCHEMBL12791491 0.84 LMNA (0.44) TERTLMNAICMTALBMCL1
SCHEMBL8165555 0.84 LMNA (0.44) TERTLMNAICMTALBMCL1
SCHEMBL17433013 0.83 TERT (0.35) TERTLMNAICMTALBITGB2
SCHEMBL19628881 0.82 KDM5A (0.56) ICMTALBHSD17B10KDM5AALDH1A1

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
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed