SCHEMBL8954659

SCHEMBL8954659

CC(C(=O)[C@H](Cc1cccc(C#N)c1)NS(=O)(=O)c1cccc2cccnc12)C1CCCCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ ITGB3 P05106 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ PKLR P30613 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 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
SCHEMBL8956272 0.87 GAA (0.48) MAPTGAANPSR1ITGB3ITGAV
SCHEMBL8954826 0.81 GAA (0.53) MAPTGAANPSR1ITGB3ITGAV
SCHEMBL8956082 0.73 F10 (0.54) MAPTGAANPSR1
Iodide SCHEMBL8955180 0.73 F10 (0.53) MAPTGAANPSR1
SCHEMBL8956282 0.70 MAPK1 (0.40) MAPTGAAPKLRCYP3A4MEN1
SCHEMBL8954662 0.68 DPP7 (0.41) GAAPKLRCYP3A4KMT2ACYP2D6
SCHEMBL12132459 0.65 ALDH1A1 (0.58) MAPTGAANPSR1MEN1KMT2A
SCHEMBL8385403 0.64 TP53 (0.58) MAPTGAANPSR1ITGB3ITGAV
SCHEMBL8650770 0.64 TP53 (0.58) MAPTGAANPSR1ITGB3ITGAV
SCHEMBL5098994 0.64 NTSR1 (0.58) MAPTGAANPSR1ITGB3ITGAV

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
US-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
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