SCHEMBL6590727

SCHEMBL6590727

CCOC(=O)C(CCSC)N(C)c1c(F)c(Oc2cccc(C3=NCCN3C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.46
F2 P00734 7/20 0.46
PLG P00747 6/20 0.34
PLAU P00749 6/20 0.34
PLAT P00750 5/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PTGER1 P34995 2/20 0.33
SLC6A9 P48067 1/20 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
SCHEMBL6594847 0.92 F10 (0.49) F10F2PLGPLAUPLAT
SCHEMBL6594063 0.92 F2 (0.48) F10F2PLGPLAUPLAT
SCHEMBL7414461 0.90 F2 (0.49) F10F2PLGPLAUPLAT
SCHEMBL6593272 0.89 F2 (0.42) F10F2PLGPLAUPLAT
SCHEMBL6597090 0.89 F2 (0.48) F10F2PLGPLAUPLAT
SCHEMBL6591417 0.89 F2 (0.48) F10F2PLGPLAUPLAT
SCHEMBL6591583 0.89 F2 (0.48) F10F2PLGPLAUPLAT
SCHEMBL6594546 0.88 F2 (0.45) F10F2PLGPLAUPLAT
SCHEMBL6593437 0.88 F2 (0.47) F10F2PLGPLAUPLAT
SCHEMBL8060516 0.86 F2 (0.47) F10F2PLGPLAUPLAT

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 5 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-6166088-A CONTROLLING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-12-26 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