SCHEMBL9099124

SCHEMBL9099124

Cc1ccc(N(CC(=O)O)C(=O)CN2CCNCCNCCNCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
CXCR4 P61073 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
OPRM1 P35372 3/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
OPRD1 P41143 1/20 0.36
PTGIR P43119 1/20 0.36

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
SCHEMBL1387794 0.87 MEN1 (0.42) KDM4EALDH1A1MEN1KMT2AKEAP1
SCHEMBL9097562 0.82 S1PR1 (0.50) ALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL4558670 0.76 ALDH1A1 (0.50) KDM4EALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL7282542 0.74 SIGMAR1 (0.58) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL20187534 0.74 CACNA2D1 (0.49) KDM4EALDH1A1SIGMAR1OPRM1
SCHEMBL9079737 0.73 HPGD (0.40) KDM4ENPC1ALDH1A1RAB9AMEN1
SCHEMBL9079952 0.73 MLYCD (0.40) KDM4EALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL6893683 0.72 ALDH1A1 (0.51) KDM4ENPC1ALDH1A1RAB9AMEN1
SCHEMBL1387733 0.72 ALDH1A1 (0.43) KDM4ENPC1ALDH1A1RAB9AMEN1
SCHEMBL11739827 0.71 NPC1 (0.49) NPC1ALDH1A1RAB9AMEN1KMT2A

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-0702677-A1 AROMATIC AMIDE COMPOUNDS AND METAL CHELATES THEREOF BRACCO International B.V. (NL) 1996-03-27 EP claimed