SCHEMBL29953370

SCHEMBL29953370

O=Cc1c(C2CCCCC2)[nH]c2c(F)cc(F)cc12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APOL1 O14791 18/20 0.35
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KCNH2 Q12809 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
SCHEMBL29954997 0.93 APOL1 (0.36) APOL1
SCHEMBL29954328 0.86 AR (0.35) APOL1
SCHEMBL29951429 0.86 APOL1 (0.33) APOL1
SCHEMBL29954981 0.86 AR (0.35) HTR2AHTR2CKCNH2
SCHEMBL29951772 0.83 DYRK1A (0.40) HTR2AHTR2CKCNH2
SCHEMBL29957613 0.80 NOS2 (0.40) HTR2AHTR2CKCNH2
SCHEMBL29951415 0.79 HTR2A (0.36) HTR2AHTR2CKCNH2
SCHEMBL29956455 0.78
SCHEMBL29955909 0.78 MAP2 (0.36) APOL1
SCHEMBL29951646 0.78 AR (0.34)

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