SCHEMBL7084264

SCHEMBL7084264

N=C(N)c1ccc(CCC(=O)N2CCCc3cccc(N(CCCC(=O)O)S(=O)(=O)c4cccc5ccccc45)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.40
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
F10 P00742 4/20 0.35
F7 P08709 2/20 0.35
SLC16A3 O15427 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER2 P43116 1/20 0.33
PLG P00747 1/20 0.33
PRSS1 P07477 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
PARP1 P09874 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
SCHEMBL6978680 0.92 KEAP1 (0.47) F2ITGB3ITGA2BKEAP1NFE2L2
SCHEMBL7084262 0.86 F2 (0.46) F2ITGB3ITGA2BF10F7
SCHEMBL6979635 0.81 ITGB3 (0.40) F2ITGB3ITGA2BKEAP1NFE2L2
SCHEMBL6982999 0.80 ALDH1A1 (0.41) F2ITGB3ITGA2BPLGPRSS1
SCHEMBL6978671 0.79 F2 (0.46) F2ITGB3ITGA2BKEAP1NFE2L2
SCHEMBL6976368 0.79 ITGB3 (0.39) F2ITGB3ITGA2BF10F7
SCHEMBL6985790 0.79 KEAP1 (0.46) F2ITGB3ITGA2BKEAP1NFE2L2
SCHEMBL6985025 0.79 F7 (0.42) F2ITGB3ITGA2BF10F7
SCHEMBL6981981 0.78 F2 (0.40) F2F10F7PLGPRSS1
SCHEMBL6981750 0.77 AVPR2 (0.38) F2ITGB3ITGA2BKEAP1NFE2L2

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-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed