SCHEMBL31500546

SCHEMBL31500546

COC(=O)c1nc(C)ncc1Br

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
ATM Q13315 1/20 0.40
XDH P47989 1/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7452572 1.00 NPSR1 (0.47) NPSR1ATMXDHMAPK1L3MBTL1
SCHEMBL9423075 0.83 ALDH1A1 (0.44) NPSR1MAPK1KDM4EALDH1A1RAB9A
SCHEMBL22476599 0.81 NPSR1 (0.50) NPSR1ATMMAPK1L3MBTL1SMN1; SMN2
SCHEMBL38663560 0.81 NPSR1 (0.45) NPSR1MAPK1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL22389946 0.81 NPSR1 (0.45) NPSR1MAPK1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL630361 0.79 KMT2A (0.36) SMN1; SMN2KDM4EALDH1A1RAB9AMAPT
SCHEMBL630198 0.79 NPSR1 (0.44) NPSR1MAPK1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL21240395 0.79 LMNA (0.32)
SCHEMBL4865908 0.79 NPSR1 (0.47) NPSR1ATMMAPK1L3MBTL1SMN1; SMN2
SCHEMBL26287659 0.79 NPSR1 (0.47) NPSR1ATMMAPK1L3MBTL1SMN1; SMN2

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
WO-2025087274-A1 AZABICYCLO DERIVATIVE AND PREPARATION METHOD THEREFOR, AND USE 浙江海正药业股份有限公司 2025-05-01 WO disclosed