SCHEMBL9829426

SCHEMBL9829426

C=Cc1ccnc(C(F)(F)F)c1C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL28052033 0.81 CCR1 (0.41) HTTHSD17B10DYRK1A
SCHEMBL26345976 0.74 PDXK (0.34)
SCHEMBL28257885 0.74 NOS2 (0.46) HTTHSD17B10DYRK1A
SCHEMBL29673267 0.74 CCR1 (0.34)
SCHEMBL4944670 0.74 CCR1 (0.34)
SCHEMBL28822506 0.73 NFE2L2 (0.35) HTTHSD17B10
SCHEMBL23074936 0.72 TRPV4 (0.34) HTTHSD17B10DYRK1A
Ammonia Solution, Strong SCHEMBL28593822 0.72 NOS3 (0.45) HTTHSD17B10DYRK1A
SCHEMBL16127584 0.72 HTT (0.34) HTTHSD17B10DYRK1A
SCHEMBL1567878 0.71 NOS3 (0.30)

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-0133612-B1 SUBSTITUTED 2,6-SUBSTITUTED PYRIDINE COMPOUNDS MONSANTO COMPANY (US) 1991-02-27 EP disclosed