SCHEMBL7669288

SCHEMBL7669288

CCC#CCOc1ccc(CCNC(=O)C(NSC)c2ccc(Cl)c(Cl)c2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CNR1 P21554 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL7676614 0.90 ALDH1A1 (0.44) ALDH1A1LMNAMEN1MAPTMAPK1
SCHEMBL7672709 0.90 LMNA (0.46) ALDH1A1LMNAMEN1MAPTMAPK1
SCHEMBL6544322 0.87 ALDH1A1 (0.46) ALDH1A1LMNAMEN1MAPTMAPK1
SCHEMBL7675476 0.85 ALDH1A1 (0.43) ALDH1A1LMNAMEN1MAPTMAPK1
SCHEMBL6226951 0.83 ALDH1A1 (0.42) ALDH1A1LMNAMEN1MAPTMAPK1
SCHEMBL6226956 0.83 ALDH1A1 (0.42) ALDH1A1LMNAMEN1MAPTMAPK1
SCHEMBL7677540 0.82 LMNA (0.50) ALDH1A1LMNAMEN1MAPTMAPK1
SCHEMBL6812132 0.80 ALDH1A1 (0.44) ALDH1A1LMNAMEN1MAPTMAPK1
SCHEMBL6816474 0.80 GAA (0.52) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6544344 0.78 ALDH1A1 (0.49) ALDH1A1LMNAMEN1MAPTMAPK1

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
US-6479550-B1 α-sulfenimino acid derivatives SYNGENTA CROP PROTECTION, INC. 2002-11-12 US claimed