SCHEMBL29951833

SCHEMBL29951833

CC(C)c1nn(C2CCCC2)c(Cl)c1C=O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
NR3C1 P04150 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL29951466 0.98 MEN1 (0.32) CCNT1CDK9NR3C1MEN1KMT2A
SCHEMBL29954457 0.98 MEN1 (0.32) CCNT1CDK9NR3C1MEN1KMT2A
SCHEMBL29953164 0.88
SCHEMBL29953694 0.87
SCHEMBL29954547 0.87
SCHEMBL15333409 0.84 ALDH1A1 (0.38) MEN1KMT2A
SCHEMBL854856 0.80 ALDH1A1 (0.37) NR3C1MEN1KMT2A
SCHEMBL29957598 0.79 MAPK13 (0.30)
SCHEMBL853448 0.78 ALDH1A1 (0.39) NR3C1MEN1KMT2A
SCHEMBL853226 0.78 ALDH1A1 (0.39) NR3C1MEN1KMT2A

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