SCHEMBL6597131

SCHEMBL6597131

CCOC(=O)C(C)(C)N(CCCCN)c1c(F)c(Oc2cccc(-c3nccn3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLAU P00749 13/20 0.35
PLG P00747 8/20 0.35
PLAT P00750 6/20 0.35
F2 P00734 5/20 0.34
F10 P00742 2/20 0.34
ICMT O60725 1/20 0.32
F3 P13726 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6592027 0.95 PLAU (0.34) PLAUPLGPLATF2F10
SCHEMBL6596445 0.95 PLAU (0.34) PLAUPLGPLATF2F10
SCHEMBL6592379 0.92 F2 (0.34) PLAUPLGPLATF2F10
SCHEMBL6591310 0.92 F2 (0.34) PLAUPLGPLATF2F10
SCHEMBL6591208 0.89 PLG (0.36) PLAUPLGPLATF2F10
SCHEMBL6592295 0.85 MRGPRX4 (0.35) PLAUPLGPLAT
SCHEMBL6592357 0.84 F10 (0.36) PLAUPLGPLATF2F10
SCHEMBL6587819 0.84 F2 (0.46) PLAUPLGPLATF2F10
SCHEMBL7414066 0.83 F10 (0.40) PLAUPLGPLATF2F10
SCHEMBL6592621 0.82 F10 (0.46) PLAUPLGPLATF2F10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888271-B1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY AMINO ACID AND HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2004-04-28 EP disclosed
US-6242454-B1 Benzamidine derivatives substituted by amino acid and hydroxy acid derivatives and their use as anti-coagulants BERLEX LABORATORIES INC. 2001-06-05 US disclosed
US-6071912-A INHIBIT HUMAN FACTOR XA AND ARE THEREFORE USEFUL AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY; AMINO-, OXY- AND THIA-SUBSTITUTED TRIAZINES BERLEX LABORATORIES, INC. (US) 2000-06-06 US disclosed
US-5994375-A ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1999-11-30 US disclosed