SCHEMBL29220697

SCHEMBL29220697

Cc1nn(C)cc1CN1CCC(Br)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
PARP14 Q460N5 1/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 3/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
MEN1 O00255 2/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
ACHE P22303 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 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
SCHEMBL12424514 0.86 ACHE (0.51) MAPK1PARP14KMT2ATDP1LMNA
SCHEMBL12384829 0.82 ALDH1A1 (0.43) MAPK1PARP14KMT2ATDP1LMNA
SCHEMBL18390912 0.80 DRD4 (0.47) MAPK1PARP14KMT2ATDP1LMNA
SCHEMBL26162998 0.78 KMT2A (0.44) MAPK1PARP14KMT2ATDP1LMNA
SCHEMBL18705082 0.75 KMT2A (0.43) MAPK1PARP14KMT2ATDP1LMNA
SCHEMBL23181991 0.74 TLR9 (0.43) MAPK1PARP14KMT2ATDP1LMNA
SCHEMBL29220696 0.70 HDAC3 (0.48) MAPK1KMT2ATDP1MEN1TLR9
SCHEMBL172196 0.69 KMT2A (0.41) MAPK1KMT2ATDP1LMNADRD2
SCHEMBL3323487 0.68 ALDH1A1 (0.47) KMT2ADRD2DRD4DRD3MEN1
SCHEMBL12424518 0.68 ACHE (0.49) MAPK1KMT2ATDP1LMNADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777096-B Preparation method of ze Bei Nuosi his 江西师范大学 2026-05-19 CN claimed
CN-117777096-A Preparation method of zee Bei Nuosi his 江西师范大学 2024-03-29 CN claimed
CN-117777096-B Preparation method of ze Bei Nuosi his 江西师范大学 2026-05-19 CN disclosed
CN-117777096-B Preparation method of ze Bei Nuosi his 江西师范大学 2026-05-19 CN disclosed
CN-117777096-A Preparation method of zee Bei Nuosi his 江西师范大学 2024-03-29 CN disclosed
CN-117777096-A Preparation method of zee Bei Nuosi his 江西师范大学 2024-03-29 CN disclosed