SCHEMBL9568422

SCHEMBL9568422

COC(=O)CCc1cn(-c2ccc(-c3ccc(C(=N)N)cc3)nn2)c(CCc2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.37
F7 P08709 3/20 0.34
F3 P13726 3/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
F10 P00742 3/20 0.34
PRSS1 P07477 2/20 0.34
NQO2 P16083 1/20 0.34
KLKB1 P03952 1/20 0.34
MAPK1 P28482 1/20 0.34
ICMT O60725 2/20 0.33
PDE5A O76074 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9250761 0.90 F2 (0.40) F2ITGB3ITGA2BF10PRSS1
SCHEMBL9259191 0.87 NQO2 (0.38) F2F7F3ITGB3ITGA2B
SCHEMBL9257112 0.86 TLR8 (0.36) ITGB3ITGA2BMAPT
SCHEMBL9280389 0.85 ITGB3 (0.35) F2ITGB3ITGA2BF10PRSS1
SCHEMBL9250808 0.82 ITGB3 (0.36) F2F7ITGB3ITGA2BF10
SCHEMBL9251260 0.80 F10 (0.36) F2F7F3F10PRSS1
SCHEMBL9250591 0.79 MIF (0.43) F2ITGB3ITGA2BF10PRSS1
SCHEMBL9248487 0.78 AGER (0.38) ITGB3ITGA2BALDH1A1MAPTMEN1
SCHEMBL9250788 0.77 ALDH1A1 (0.34) ITGB3ITGA2BF10NQO2ALDH1A1
SCHEMBL9257188 0.77 NQO2 (0.38) F2ITGB3ITGA2BF10PRSS1

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-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed