SCHEMBL7844012

SCHEMBL7844012

COc1ccc(-c2cc3ccccc3cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.57
F10 P00742 10/20 0.57
F7 P08709 8/20 0.57
F3 P13726 7/20 0.57
PLG P00747 3/20 0.57
PLAU P00749 7/20 0.56
PLAT P00750 4/20 0.56
KLK1 P06870 1/20 0.46
KLK5 Q9Y337 1/20 0.46
NPC1 O15118 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
CASP3 P42574 2/20 0.45
RAB9A P51151 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 1/20 0.45
F9 P00740 1/20 0.45

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
SCHEMBL7674717 0.92 F2 (0.59) F2F10F7F3PLG
SCHEMBL7659149 0.91 F2 (0.52) F2F10F7F3PLG
SCHEMBL7656591 0.91 F2 (0.52) F2F10F7F3PLG
SCHEMBL7653276 0.91 F2 (0.57) F2F10F7F3PLG
SCHEMBL7661124 0.91 F2 (0.57) F2F10F7F3PLG
SCHEMBL7663630 0.90 F2 (0.52) F2F10F7F3PLG
SCHEMBL7654797 0.90 F2 (0.53) F2F10F7F3PLG
SCHEMBL7657872 0.90 F2 (0.50) F2F10F7F3PLG
SCHEMBL7660871 0.89 F2 (0.58) F2F10F7F3PLG
SCHEMBL7660793 0.88 F2 (0.54) F2F10F7F3PLG

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
EP-1078917-A1 AMIDINO DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 EP disclosed