SCHEMBL7616614

SCHEMBL7616614

C=C(C)C(=O)NCCCCCCN1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CXCR4 P61073 1/20 0.42
HSD17B10 Q99714 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 2/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
RAD52 P43351 1/20 0.37
PAOX Q6QHF9 2/20 0.37
BCHE P06276 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
SCHEMBL7612878 1.00 MEN1 (0.49) MEN1KMT2ACXCR4HSD17B10SIGMAR1
SCHEMBL7611652 0.98 MEN1 (0.50) MEN1KMT2ACXCR4HSD17B10SIGMAR1
SCHEMBL7607618 0.94 MEN1 (0.51) MEN1KMT2ACXCR4HSD17B10SIGMAR1
SCHEMBL7617229 0.88 MEN1 (0.61) MEN1KMT2AHSD17B10SIGMAR1GAA
SCHEMBL7615079 0.81 GAA (0.61) KMT2AGAARAB9AKDM4ELMNA
SCHEMBL23673763 0.80 CXCR4 (0.49) MEN1KMT2ACXCR4HSD17B10SIGMAR1
SCHEMBL7620687 0.80 NPC1 (0.51) GAARAB9AKDM4ELMNAALDH1A1
SCHEMBL31036048 0.79 MEN1 (0.53) MEN1KMT2ACXCR4HSD17B10SIGMAR1
SCHEMBL28225574 0.79 MEN1 (0.51) MEN1KMT2AHSD17B10SIGMAR1GAA
SCHEMBL9635906 0.78 NPC1 (0.54) GAARAB9AKDM4ELMNAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423487-B2 ACYCLIC OR HETEROCYCLIC AMINOALKYL (METH)ACRYLAMIDE POLYMERS OR POLYMERS OF (METH)ACRYLATED ALKYLENE OXIDE ADDUCTS OF PIPERAZINES OR MORPHOLINE AS VISCOSITY ENHANCERS FUJI PHOTO FILM CO., LTD. (JP) 2002-07-23 US disclosed
US-20020015927-A1 Thermally processed image recording material FUJIFILM CORPORATION (JP) 2002-02-07 US disclosed