SCHEMBL16808259

SCHEMBL16808259

N=C(N)NCCCCCCCCNC(=O)CCCOc1ccc(C(=N)N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.65
ITGA2B P08514 1/20 0.65
PRMT1 Q99873 3/20 0.57
F2 P00734 2/20 0.57
ST14 Q9Y5Y6 2/20 0.57
TMPRSS2 O15393 2/20 0.57
PLAU P00749 1/20 0.57
PRMT5 O14744 1/20 0.57
SLC22A2 O15244 1/20 0.57
SLC22A1 O15245 1/20 0.57
PTP4A3 O75365 1/20 0.57
SLC22A3 O75751 1/20 0.57
F10 P00742 1/20 0.57
PLG P00747 1/20 0.57
S100B P04271 1/20 0.57
CHRM2 P08172 1/20 0.57
CHRM4 P08173 1/20 0.57
CHRM5 P08912 1/20 0.57
ADRA2A P08913 1/20 0.57
CYP2D6 P10635 1/20 0.57

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
SCHEMBL16808221 1.00 ITGB3 (0.65) ITGB3ITGA2BPRMT1F2ST14
SCHEMBL18296682 0.84 PRMT1 (0.64) ITGB3ITGA2BPRMT1F2ST14
SCHEMBL18296411 0.84 PRMT1 (0.69) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL18296570 0.84 PRMT1 (0.69) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL18296450 0.84 PRMT1 (0.69) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL18296752 0.84 PRMT1 (0.64) ITGB3ITGA2BPRMT1F2ST14
SCHEMBL18296757 0.84 PRMT1 (0.69) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL18296433 0.84 PRMT1 (0.69) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL16808243 0.84 PRMT1 (0.69) PRMT1F2ST14TMPRSS2PLAU
SCHEMBL18296625 0.84 PRMT1 (0.69) PRMT1F2ST14TMPRSS2PLAU

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
WO-2015087857-A1 ARYL AMIDINE COMPOUND AND BACTERICIDAL AGENT 日本曹達株式会社 2015-06-18 WO disclosed