SCHEMBL30947731

SCHEMBL30947731

CN1CCC(C(=O)Nc2ccc(Br)cc2C(N)=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
AAK1 Q2M2I8 1/20 0.46
PARP1 P09874 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
ROCK2 O75116 1/20 0.43
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL23293802 1.00 MAPT (0.46) MAPTHDAC3HDAC1HDAC2AAK1
SCHEMBL22393793 0.88 AAK1 (0.49) AAK1KMT2APOLBIRAK4
SCHEMBL8339616 0.85 AAK1 (0.53) HDAC3HDAC1HDAC2AAK1KMT2A
SCHEMBL25151822 0.84 HTT (0.52) MAPTHDAC3HDAC1HDAC2AAK1
SCHEMBL23316233 0.83 PTPN2 (0.56) KMT2APOLB
SCHEMBL22600529 0.81 ROCK2 (0.47) MAPTHDAC3HDAC1HDAC2PARP1
SCHEMBL22701155 0.81 PTPN2 (0.50) MAPTHDAC1HDAC2PARP1KMT2A
SCHEMBL18018576 0.78 AAK1 (0.44) MAPTAAK1KMT2APOLBIRAK4
SCHEMBL18170428 0.76 PIK3C3 (0.56) GSK3B
SCHEMBL29676896 0.76 PIK3C3 (0.56) GSK3B

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-112469707-B Preventive or therapeutic agent for spinal muscular atrophy 利伯纳生物科学株式会社 2024-06-21 CN disclosed