SCHEMBL29955949

SCHEMBL29955949

O=Cc1c(C2CC2)[nH]c2c(F)c(F)ccc12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 18/20 0.36
NOS1 P29475 17/20 0.36
NOS3 P29474 7/20 0.36
APOL1 O14791 1/20 0.32

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
SCHEMBL29957613 0.94 NOS2 (0.40) NOS2NOS1NOS3
SCHEMBL29953581 0.85 GPR17 (0.36)
SCHEMBL29953449 0.82 FEN1 (0.38) NOS2NOS1NOS3APOL1
SCHEMBL29951787 0.80 GPR17 (0.34) NOS2NOS1
SCHEMBL29951055 0.78
SCHEMBL29955909 0.78 MAP2 (0.36) NOS2NOS1NOS3APOL1
SCHEMBL29954997 0.77 APOL1 (0.36) APOL1
SCHEMBL29951772 0.77 DYRK1A (0.40) NOS2NOS1NOS3
SCHEMBL29952259 0.76 STING1 (0.36)
SCHEMBL29956885 0.76 MEN1 (0.32)

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed