SCHEMBL8954856

SCHEMBL8954856

N=C(N)Nc1cccc(C[C@](N)(C(=O)N2CCC(C(=O)O)CC2)S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 13/20 0.50
▸ PLAU P00749 6/20 0.42
▸ F2 P00734 6/20 0.41
▸ ST14 Q9Y5Y6 5/20 0.41
▸ PLG P00747 5/20 0.41
▸ HPN P05981 1/20 0.41
▸ HGFAC Q04756 1/20 0.41
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C1 Q04828 1/20 0.41
▸ PRSS1 P07477 1/20 0.40
▸ PLAT P00750 1/20 0.40
▸ CAPN1 P07384 1/20 0.40

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
SCHEMBL8954875 0.85 F10 (0.44) F10PLAUF2ST14PLG
SCHEMBL9710628 0.84 F10 (0.53) F10PLAUF2ST14PLG
SCHEMBL8955038 0.83 F10 (0.47) F10PLAUF2ST14PLG
SCHEMBL8954624 0.83 F10 (0.41) F10PLAUF2ST14PLG
SCHEMBL8954679 0.83 F10 (0.43) F10PLAUF2ST14PLG
SCHEMBL8954645 0.81 F10 (0.40) F10PLAUF2ST14PLG
SCHEMBL9666086 0.79 F10 (0.42) F10PLAUF2ST14PLG
SCHEMBL9665510 0.78 F10 (0.38) F10PLAUF2ST14PLG
Bicarbonate SCHEMBL9665131 0.76 F10 (0.57) F10PLAUF2PLGPRSS1
SCHEMBL9710665 0.75 F10 (0.56) F10PLAUF2PLGHPN

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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