SCHEMBL24326489

SCHEMBL24326489

CC(C)Oc1cnc(C2CCCC(OC(C)C)CN2)nc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL24326379 0.68
SCHEMBL27025245 0.68 ACACB (0.31)
SCHEMBL24325999 0.68 ACACB (0.31)
SCHEMBL29060352 0.67 POLB (0.31)
SCHEMBL24326435 0.66
SCHEMBL27013023 0.66
SCHEMBL29059368 0.63 ACACB (0.39) KDM4EALDH1A1
SCHEMBL12896071 0.62 ALDH1A3 (0.35) ALDH1A1
SCHEMBL24326413 0.62
SCHEMBL4018245 0.61

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
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed