SCHEMBL5799141

SCHEMBL5799141

CN1CCN(CCC(N)=O)CC1.CN1CCN(CCCN)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
PAOX Q6QHF9 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.41
KEAP1 Q14145 1/20 0.41
TSHR P16473 1/20 0.41
HTR7 P34969 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL4042630 0.93 L3MBTL1 (0.61) L3MBTL1PAOXSMN1; SMN2KEAP1SIGMAR1
SCHEMBL2852219 0.89 L3MBTL1 (0.65) L3MBTL1PAOXSMN1; SMN2TSHRLMNA
Hydrochloric Acid SCHEMBL7430675 0.87 L3MBTL1 (0.63) L3MBTL1PAOXSMN1; SMN2TSHRLMNA
SCHEMBL2091283 0.87 PAOX (0.60) L3MBTL1PAOXSMN1; SMN2TSHRHTR7
Hydrochloric Acid SCHEMBL7427001 0.85 PAOX (0.58) L3MBTL1PAOXSMN1; SMN2TSHRHTR7
SCHEMBL30479937 0.83 PAOX (0.72) L3MBTL1PAOXTSHRHTR7SIGMAR1
SCHEMBL248151 0.82 KEAP1 (0.56) PAOXSMN1; SMN2KEAP1SIGMAR1CYP2D6
SCHEMBL31008699 0.81 L3MBTL1 (0.68) L3MBTL1PAOXSMN1; SMN2SIGMAR1MAPT
SCHEMBL829653 0.81 L3MBTL1 (0.50) L3MBTL1PAOXSMN1; SMN2KEAP1SIGMAR1
Urea SCHEMBL11526333 0.80 KEAP1 (0.54) L3MBTL1PAOXSMN1; SMN2KEAP1SIGMAR1

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-1432702-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS RAF INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2006-08-16 EP disclosed