SCHEMBL29076752

SCHEMBL29076752

O=CC1Nc2ccccc2C12CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE7A Q13946 1/20 0.35
MAPK1 P28482 1/20 0.35
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
IDO1 P14902 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
APOBEC3A P31941 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
SCHEMBL28496380 0.95 PDE7A (0.41) KDM1AALDH1A1GAAMEN1POLB
SCHEMBL28904764 0.86 KDM1A (0.40) KDM1AALDH1A1OPRM1OPRK1OPRL1
SCHEMBL28453797 0.85 KDM1A (0.36) KDM1AALDH1A1GAAMEN1POLB
SCHEMBL28496477 0.82 KDM1A (0.32) KDM1A
SCHEMBL28998851 0.81 BACE1 (0.43) KDM1ASLC6A2SLC6A4BACE1
SCHEMBL28933778 0.75 POLB (0.37) KDM1AGAAPOLBLMNA
SCHEMBL28467068 0.75 CYP2D6 (0.33) KDM1AALDH1A1MEN1KMT2AHSD17B10
SCHEMBL23581199 0.74 PDK2 (0.40) ALDH1A1GAAMEN1POLBKMT2A
SCHEMBL28692448 0.71 LMNA (0.36) KDM1AALDH1A1GAAPOLBLMNA
SCHEMBL28413703 0.67 KDM1A (0.38) KDM1AOPRM1OPRK1OPRL1

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
CN-116802176-A Oxindoles and methods of use thereof 阿利戈斯治疗公司 2023-09-22 CN disclosed