SCHEMBL28689282

SCHEMBL28689282

Cc1ccc(N2CCCCC2)c(NC(=O)CCl)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
KCNQ2 O43526 2/20 0.53
MAPT P10636 6/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 1/20 0.51
GAA P10253 2/20 0.51
TP53 P04637 1/20 0.50

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
SCHEMBL14228573 0.83 ALDH1A1 (0.55) ALDH1A1KCNQ2MAPTL3MBTL1MEN1
SCHEMBL28772030 0.81 ALDH1A1 (0.53) ALDH1A1KCNQ2MAPTMEN1KMT2A
SCHEMBL12732483 0.81 CYP1A2 (0.60) ALDH1A1SMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL29559749 0.80 KCNQ2 (0.68) ALDH1A1KCNQ2MAPTL3MBTL1MEN1
SCHEMBL22897679 0.80 KCNQ2 (0.68) ALDH1A1KCNQ2MAPTL3MBTL1MEN1
SCHEMBL12708168 0.78 MAPT (0.50) ALDH1A1HTTMAPTL3MBTL1MEN1
SCHEMBL12858760 0.75 KMT2A (0.62) ALDH1A1SMN1; SMN2HTTMAPTL3MBTL1
SCHEMBL3485243 0.75 KDR (0.71) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL4001716 0.75 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2HTTMAPTMEN1
SCHEMBL12858847 0.74 POLB (0.61) ALDH1A1SMN1; SMN2HTTMAPTL3MBTL1

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-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 CN disclosed