SCHEMBL29052829

SCHEMBL29052829

N#Cc1ccc(N)c(NCC2CCO2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.40
ALDH1A1 P00352 13/20 0.40
HPGD P15428 9/20 0.40
GAA P10253 9/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
HSD17B10 Q99714 2/20 0.39
PDE5A O76074 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 5/20 0.38
GLA P06280 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHEK1 O14757 1/20 0.38
HTT P42858 1/20 0.37
MAPK1 P28482 2/20 0.37
MAT2A P31153 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL25113694 1.00 KDM4E (0.40) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL29480773 1.00 KDM4E (0.40) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL27398352 0.79 PDE5A (0.41) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL29052812 0.79 ALDH1A1 (0.42) ALDH1A1LMNAMAPTHTTMAPK1
SCHEMBL29052811 0.79 ALDH1A1 (0.42) ALDH1A1LMNAMAPTHTTMAPK1
SCHEMBL29480782 0.79 ALDH1A1 (0.42) ALDH1A1LMNAMAPTHTTMAPK1
SCHEMBL29079748 0.75 ALDH1A1 (0.38) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL25113695 0.75 ALDH1A1 (0.38) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL20266435 0.75 HCAR3 (0.43) KDM4EALDH1A1GAASMN1; SMN2PDE5A
SCHEMBL20266434 0.75 HCAR3 (0.43) KDM4EALDH1A1GAASMN1; SMN2PDE5A

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
CN-116547278-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-08-04 CN disclosed
CN-116406360-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-07-07 CN disclosed