SCHEMBL8380133

SCHEMBL8380133

COc1cccc(C(=O)O)c1Oc1c(F)c(Oc2cccc(N)c2)nc(Oc2cc(C#N)cc(OC)c2-c2ccccc2)c1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F3 P13726 6/20 0.44
F7 P08709 4/20 0.44
PLG P00747 5/20 0.42
PLAU P00749 5/20 0.42
DHODH Q02127 1/20 0.40
F10 P00742 9/20 0.39
KDM4E B2RXH2 1/20 0.37
F2 P00734 3/20 0.37
PLAT P00750 1/20 0.36

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
SCHEMBL6774708 0.87 TTR (0.42) F3F7PLAUF10F2
SCHEMBL8336242 0.84 F7 (0.41) F3F7PLGPLAUF10
SCHEMBL6578738 0.72 MRGPRX4 (0.43) F3F7F10KDM4E
SCHEMBL5581363 0.69 PLAU (0.69) F3F7PLGPLAUPLAT
SCHEMBL7919800 0.66 KDM4E (0.64) KDM4E
SCHEMBL6578909 0.66 F10 (0.65) F10F2
SCHEMBL6581914 0.65 F10 (0.61) F10F2
SCHEMBL6576600 0.65 F10 (0.60) F3F7F10F2
SCHEMBL7406187 0.64 F7 (0.57) F3F7F10F2
SCHEMBL6576302 0.64 F10 (0.58) F3F7F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5889005-A Benzamidine derivatives and their use for treating thrombotic diseases BERLEX LABORATORIES, INC. (US) 1999-03-30 US disclosed
US-5877181-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1999-03-02 US disclosed