SCHEMBL5041918

SCHEMBL5041918

CCO[C@H](C(=O)NCc1ccc(C(=N)N)cc1)c1c(F)cc(-c2cccnc2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.48
F2 P00734 10/20 0.47
PRSS1 P07477 4/20 0.47
F7 P08709 4/20 0.47
F3 P13726 3/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ST14 Q9Y5Y6 1/20 0.39
MASP2 O00187 2/20 0.39
ABCB1 P08183 2/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL5041911 1.00 F10 (0.48) F10F2PRSS1F7F3
Hydrochloric Acid SCHEMBL5041787 0.99 F10 (0.49) F10F2PRSS1F7F3
Hydrochloric Acid SCHEMBL5041789 0.99 F10 (0.49) F10F2PRSS1F7F3
Hydrochloric Acid SCHEMBL5037769 0.89 F10 (0.48) F10F2PRSS1F7ST14
Hydrochloric Acid SCHEMBL5037778 0.89 F10 (0.48) F10F2PRSS1F7ST14
Hydrochloric Acid SCHEMBL5041542 0.88 F10 (0.50) F10F2PRSS1F7ST14
Hydrochloric Acid SCHEMBL5041547 0.88 F10 (0.50) F10F2PRSS1F7ST14
Hydrochloric Acid SCHEMBL5037761 0.88 F10 (0.51) F10F2PRSS1F7F3
Hydrochloric Acid SCHEMBL5037754 0.88 F10 (0.51) F10F2PRSS1F7F3
Hydrochloric Acid SCHEMBL5045221 0.87 F10 (0.52) F10F2PRSS1F7F3

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP claimed