SCHEMBL31389736

SCHEMBL31389736

OCc1ccn(C2CCCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
KCNH2 Q12809 1/20 0.37
WDR5 P61964 1/20 0.34
ACHE P22303 3/20 0.34
PDE7A Q13946 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
ESR1 P03372 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.30
PHGDH O43175 1/20 0.30
MGLL Q99685 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
SCHEMBL31389771 0.94 SIGMAR1 (0.38) SIGMAR1KCNH2WDR5ACHEHDAC1
SCHEMBL19945657 0.90 HDAC1 (0.36) SIGMAR1KCNH2HDAC1HDAC6KDM4E
SCHEMBL20244826 0.84 SIGMAR1 (0.42) SIGMAR1KCNH2WDR5HDAC1HDAC6
SCHEMBL24915358 0.82 SIGMAR1 (0.41) SIGMAR1HDAC1HDAC6JAK2JAK1
SCHEMBL24958728 0.82 MEN1 (0.37) ALDH1A1MEN1KMT2A
SCHEMBL14553997 0.81 SIGMAR1 (0.40) SIGMAR1KCNH2WDR5ACHEHDAC1
SCHEMBL17493993 0.81 KCNH2 (0.40) SIGMAR1KCNH2WDR5ACHEHDAC1
SCHEMBL29160328 0.80 SIGMAR1 (0.38) SIGMAR1JAK2JAK1MGLL
SCHEMBL29341832 0.80 TLR8 (0.37) SIGMAR1JAK2JAK1
SCHEMBL18290465 0.79 SIGMAR1 (0.38) SIGMAR1KCNH2WDR5HDAC1HDAC6

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-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed