SCHEMBL9066655

SCHEMBL9066655

C1CN(CCN2CCNCC2)CCN1.CC(CN1CCNCC1)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.39
PTGS1 P23219 2/20 0.39
LMNA P02545 1/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CXCR4 P61073 2/20 0.38
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
ALDH1A1 P00352 3/20 0.33
SIGMAR1 Q99720 2/20 0.33
RAD52 P43351 1/20 0.33
KDM1A O60341 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RECQL P46063 1/20 0.32
ANPEP P15144 1/20 0.32
ERAP2 Q6P179 1/20 0.32

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
SCHEMBL5689073 0.94 SMN1; SMN2 (0.46) SMN1; SMN2POLBPTGS1LMNATOP2A
SCHEMBL3966619 0.92 SMN1; SMN2 (0.44) SMN1; SMN2POLBPTGS1LMNATOP2A
SCHEMBL11066505 0.84 MEN1 (0.40) SMN1; SMN2PTGS1LMNATOP2ATOP2B
SCHEMBL674004 0.82 CXCR4 (0.50) SMN1; SMN2PTGS1LMNATOP2ATOP2B
SCHEMBL15065334 0.79 SMN1; SMN2 (0.39) SMN1; SMN2PTGS1LMNATOP2ATOP2B
SCHEMBL15065157 0.79 SMN1; SMN2 (0.42) SMN1; SMN2PTGS1LMNATOP2ATOP2B
SCHEMBL237512 0.75 POLB (0.59) SMN1; SMN2POLBHSD17B10CXCR4CHRM5
SCHEMBL208440 0.73 SMN1; SMN2 (0.50) SMN1; SMN2POLBLMNACXCR4CHRM5
SCHEMBL6921848 0.73 SMN1; SMN2 (0.50) SMN1; SMN2POLBLMNACXCR4CHRM5
SCHEMBL14006975 0.73 TOP2A (0.77) SMN1; SMN2PTGS1LMNATOP2ATOP2B

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
EP-0442700-B1 Two-component curable hot-melt resin compositions UNION CAMP CORP (US) 1996-01-03 EP claimed
EP-0442700-A2 Two-component curable hot-melt resin compositions UNION CAMP CORPORATION (US) 1991-08-21 EP claimed