SCHEMBL28996572

SCHEMBL28996572

CN1CCCN(CCCC(N)=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
PAOX Q6QHF9 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 1/20 0.45
SIGMAR1 Q99720 3/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
RAD52 P43351 1/20 0.43
CHKA P35790 2/20 0.40
CA2 P00918 1/20 0.40
NCF1 P14598 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
BCHE P06276 1/20 0.40
HTR7 P34969 2/20 0.39

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
SCHEMBL2091283 0.92 PAOX (0.60) L3MBTL1PAOXSMN1; SMN2CYP1A2MAPK1
SCHEMBL31008699 0.91 L3MBTL1 (0.68) L3MBTL1PAOXSMN1; SMN2SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL7427001 0.90 PAOX (0.58) L3MBTL1PAOXSMN1; SMN2CYP1A2MAPK1
SCHEMBL3321939 0.88 L3MBTL1 (0.68) L3MBTL1PAOXSMN1; SMN2CYP1A2MAPK1
SCHEMBL30479937 0.85 PAOX (0.72) L3MBTL1PAOXTSHRSIGMAR1ALDH1A1
SCHEMBL3926676 0.84 L3MBTL1 (0.75) L3MBTL1SMN1; SMN2CYP1A2MAPK1TSHR
SCHEMBL2852219 0.82 L3MBTL1 (0.65) L3MBTL1PAOXSMN1; SMN2TSHRALDH1A1
SCHEMBL493879 0.82 L3MBTL1 (0.79) L3MBTL1SMN1; SMN2CYP1A2MAPK1TSHR
Hydrochloric Acid SCHEMBL4710262 0.82 L3MBTL1 (0.72) L3MBTL1SMN1; SMN2CYP1A2MAPK1TSHR
SCHEMBL13621202 0.81 SIGMAR1 (0.54) L3MBTL1PAOXTSHRSIGMAR1ALDH1A1

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-4182308-B1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARM SPA (IT) 2024-09-04 EP disclosed
CN-116096719-A Pyridazinylamino derivatives as ALK5 inhibitors 奇斯药制品公司 2023-05-09 CN disclosed