SCHEMBL16458019

SCHEMBL16458019

CCn1ncc(N)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.43
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.33
LRRK2 Q5S007 1/20 0.33
HASPIN Q8TF76 1/20 0.33
XDH P47989 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.32
BCDIN3D Q7Z5W3 1/20 0.32
CYP11B2 P19099 1/20 0.31
BRD9 Q9H8M2 1/20 0.30

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
SCHEMBL16964268 0.82 MPO (0.39) MPOPTGS2PTGS1KMT2AMEN1
SCHEMBL26125006 0.81 MPO (0.32) MPO
SCHEMBL31319669 0.80 TLR8 (0.40)
SCHEMBL31319756 0.79 P2RX7 (0.31)
SCHEMBL31319713 0.79 PKM (0.40) PTGS2
SCHEMBL15652891 0.79 LRRK2 (0.38) MPOLRRK2
SCHEMBL24469847 0.78 CYP1A2 (0.40) MPOPTGS2PTGS1KMT2AMEN1
SCHEMBL31319708 0.78
Hydrochloric Acid SCHEMBL26124377 0.78 LRRK2 (0.38) MPOLRRK2
SCHEMBL17076735 0.78 LRRK2 (0.39) MPOKMT2ACYP1A2LRRK2GAA

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-2475644-B1 HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2014-01-08 EP claimed