SCHEMBL29524173

SCHEMBL29524173

NC(=O)c1ccc(N2CCNCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.53
UBE2T Q9NPD8 1/20 0.53
KCNH2 Q12809 1/20 0.52
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
HDAC2 Q92769 5/20 0.51
HDAC3 O15379 3/20 0.51
HRH3 Q9Y5N1 3/20 0.50
HPGDS O60760 1/20 0.50
HDAC1 Q13547 4/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SMO Q99835 1/20 0.49
ACVR1 Q04771 1/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
JAK3 P52333 1/20 0.48

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
SCHEMBL2706925 1.00 PARP1 (0.53) PARP1UBE2TKCNH2OPRM1OPRK1
Hydrochloric Acid SCHEMBL29475075 0.98 PARP1 (0.52) PARP1UBE2TKCNH2OPRM1OPRK1
Trifluoroacetic Acid SCHEMBL30349640 0.91 HPGDS (0.52) PARP1UBE2TKCNH2OPRM1OPRK1
Hydrochloric Acid SCHEMBL20293527 0.87 GPR119 (0.54) KCNH2HDAC2HDAC3HDAC1HDAC10
SCHEMBL1896186 0.86 KCNH2 (0.53) UBE2TKCNH2HDAC2HDAC3HRH3
SCHEMBL30289763 0.85 UBE2T (0.71) PARP1UBE2TOPRM1OPRK1HRH3
SCHEMBL29475033 0.85 UBE2T (0.71) PARP1UBE2TOPRM1OPRK1HRH3
SCHEMBL4935859 0.84 MAPT (0.51) UBE2TKCNH2HDAC2HDAC3HRH3
SCHEMBL7547417 0.84 KCNH2 (0.52) UBE2TKCNH2HDAC2HDAC3HRH3
SCHEMBL7550033 0.84 KCNH2 (0.52) UBE2TKCNH2HDAC2HDAC3HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217355-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 Forkhead Biotherapeutics, inc. (US) 2023-08-02 EP disclosed
WO-2022066938-A1 AGENTS FOR THE TREATMENT OF DISEASES BY INHIBITION OF FOXO1 FORKHEAD BIOTHERAPEUTICS, INC. (US) 2022-03-31 WO disclosed