SCHEMBL8956093

SCHEMBL8956093

N=C(N)c1cccc(C[C@](N)(C(=O)N2CCCCC2C(=O)O)S(=O)(=O)c2cccc3cccnc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 6/20 0.44
▸ PLG P00747 2/20 0.44
▸ ST14 Q9Y5Y6 2/20 0.44
▸ F2 P00734 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ PRSS1 P07477 3/20 0.41
▸ TMPRSS15 P98073 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP1A2 P05177 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
Iodide SCHEMBL8955189 0.99 F10 (0.43) F10PLGST14F2PLAU
SCHEMBL8956282 0.86 MAPK1 (0.40) TP53POLBALOX15TSHRGFER
Bicarbonate SCHEMBL9665066 0.85 F10 (0.45) F10PLGF2PLAUPRSS1
Hydrochloric Acid SCHEMBL8954922 0.82 F10 (0.51) F10PLGST14F2PLAU
SCHEMBL8954706 0.80 F10 (0.52) F10PLGST14F2PLAU
SCHEMBL8956082 0.76 F10 (0.54) F10PLGST14F2PLAU
Iodide SCHEMBL8955180 0.76 F10 (0.53) F10PLGST14F2PLAU
Iodide SCHEMBL9710508 0.74 F10 (0.51) F10PLGF2PLAUPRSS1
SCHEMBL8954875 0.73 F10 (0.44) F10PLGST14F2PLAU
SCHEMBL8954767 0.71 F10 (0.50) F10PLGST14F2PLAU

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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