SCHEMBL29956450

SCHEMBL29956450

Cc1cnc(C=O)c(C)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.49
JAK3 P52333 1/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
AOX1 Q06278 1/20 0.32
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 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
SCHEMBL23028344 1.00 KCNJ1 (0.49) KCNJ1JAK3KDM4EMEN1ALDH1A1
SCHEMBL21880021 0.82 KCNJ1 (0.38) KCNJ1JAK3KDM4EMEN1ALDH1A1
SCHEMBL22090180 0.78 KCNJ1 (0.46) KCNJ1KDM4EMEN1ALDH1A1LMNA
SCHEMBL22789632 0.78 KCNJ1 (0.39) KCNJ1JAK3KDM4EMEN1ALDH1A1
SCHEMBL22678487 0.78 KCNJ1 (0.46) KCNJ1KDM4EMEN1ALDH1A1LMNA
SCHEMBL27312530 0.78 KCNJ1 (0.36) KCNJ1
SCHEMBL13896546 0.78 KCNJ1 (0.46) KCNJ1KDM4EMEN1ALDH1A1LMNA
SCHEMBL1474575 0.77 KCNJ1 (0.38) KCNJ1ALDH1A1
SCHEMBL7702100 0.76 NOS2 (0.34) KCNJ1JAK3
SCHEMBL17068043 0.75 KCNJ1 (0.44) KCNJ1KDM4E

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