SCHEMBL29009367

SCHEMBL29009367

COc1cc(Cl)c[c]c1-c1ncc(F)cn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TDO2 P48775 2/20 0.31
SLC22A12 Q96S37 1/20 0.31
IDO1 P14902 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
FYN P06241 1/20 0.30

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
SCHEMBL26117585 0.89 SMN1; SMN2 (0.38) KDM4EALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL28975930 0.72 ALDH1A1 (0.34) KDM4EALDH1A1SMN1; SMN2
SCHEMBL2344974 0.70 TRPV4 (0.36) KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL30855384 0.70 RECQL (0.49) KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL29196619 0.70 RECQL (0.49) KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL28476211 0.68 PDE4D (0.34)
SCHEMBL2349873 0.66 TRPV4 (0.38) KDM4EALDH1A1SMN1; SMN2HTT
SCHEMBL2122632 0.65 CHRNB2 (0.42) KDM4EALDH1A1SMN1; SMN2HTTTDO2
SCHEMBL31168643 0.65 CHRNB2 (0.42) KDM4EALDH1A1SMN1; SMN2HTTTDO2
SCHEMBL5207780 0.64 TRPV4 (0.37) KDM4EALDH1A1SMN1; SMN2HTTL3MBTL1

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-116217548-A Amide compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-06-06 CN disclosed