SCHEMBL8865883

SCHEMBL8865883

N=C(N)c1ccc(-c2cn3ccc(C(=O)N4CCC(C(=O)O)CC4)cc3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.53
▸ PRSS2 P07478 2/20 0.53
▸ PRSS3 P35030 2/20 0.53
▸ ITGB3 P05106 3/20 0.48
▸ ITGA2B P08514 3/20 0.48
▸ SUV39H2 Q9H5I1 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ F10 P00742 1/20 0.41
▸ ST14 Q9Y5Y6 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ ACACB O00763 3/20 0.39
▸ ACACA Q13085 3/20 0.39
▸ TMPRSS15 P98073 1/20 0.39
▸ MGLL Q99685 1/20 0.39

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
Water SCHEMBL8867564 0.99 PRSS1 (0.52) PRSS1PRSS2PRSS3ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL8866457 0.91 ITGB3 (0.47) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL8867330 0.90 SUV39H2 (0.44) PRSS1PRSS2PRSS3SUV39H2SMN1; SMN2
SCHEMBL9235366 0.88 SUV39H2 (0.44) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL8866849 0.86 SUV39H2 (0.44) PRSS1PRSS2PRSS3SUV39H2F10
SCHEMBL8868200 0.85 ITGB3 (0.49) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL8866335 0.84 MKNK1 (0.43) SUV39H2MAPT
SCHEMBL8867044 0.83 ITGB3 (0.48) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL8866447 0.83 SUV39H2 (0.46) PRSS1PRSS2PRSS3SUV39H2SMN1; SMN2
SCHEMBL8866917 0.82 ITGB3 (0.49) ITGB3ITGA2BSUV39H2

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
US-5614531-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 — — US disclosed
EP-0668278-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1995-08-23 — — EP disclosed
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