SCHEMBL6451758

SCHEMBL6451758

CCO[C@H](C(=O)NCc1ccc(C(=N)N)cc1)c1c(F)cc(Oc2ccc(OC)c(OC)c2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.50
MAPK1 P28482 1/20 0.47
F2 P00734 5/20 0.43
PRSS1 P07477 3/20 0.43
F7 P08709 3/20 0.43
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KLKB1 P03952 1/20 0.41
PROC P04070 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.39

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
SCHEMBL6451726 1.00 F10 (0.50) F10MAPK1F2PRSS1F7
Hydrochloric Acid SCHEMBL5045557 0.99 F10 (0.51) F10MAPK1F2PRSS1F7
Hydrochloric Acid SCHEMBL5045566 0.99 F10 (0.51) F10MAPK1F2PRSS1F7
SCHEMBL5041955 0.92 F10 (0.48) F10MAPK1F2PRSS1F7
SCHEMBL5041966 0.92 F10 (0.48) F10MAPK1F2PRSS1F7
Hydrochloric Acid SCHEMBL5041535 0.89 F10 (0.49) F10F2PRSS1F7KLKB1
Hydrochloric Acid SCHEMBL5041541 0.89 F10 (0.49) F10F2PRSS1F7KLKB1
Hydrochloric Acid SCHEMBL5041941 0.88 F10 (0.53) F10MAPK1F2PRSS1F7
Hydrochloric Acid SCHEMBL5041921 0.88 F10 (0.53) F10MAPK1F2PRSS1F7
Hydrochloric Acid SCHEMBL5037782 0.86 F10 (0.54) F10F2PRSS1F7CARM1

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
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO disclosed