SCHEMBL7677540

SCHEMBL7677540

COc1ccc(CCNC(=O)C(NSC)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNH2 Q12809 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
CNR1 P21554 1/20 0.46
PKM P14618 1/20 0.46
TP53 P04637 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL7675428 0.89 LMNA (0.61) LMNAALDH1A1MAPTKMT2ACA1
SCHEMBL7668449 0.89 SMN1; SMN2 (0.58) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL7676013 0.87 ALDH1A1 (0.50) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL7672709 0.87 LMNA (0.46) LMNAALDH1A1MEN1MAPTMAPK1
SCHEMBL7672988 0.86 CA12 (0.49) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL7670219 0.85 SMN1; SMN2 (0.48) LMNAALDH1A1MEN1MAPTKMT2A
SCHEMBL7675476 0.84 ALDH1A1 (0.43) LMNAALDH1A1MEN1MAPTMAPK1
SCHEMBL7676614 0.84 ALDH1A1 (0.44) LMNAALDH1A1MEN1MAPTMAPK1
SCHEMBL7669288 0.82 ALDH1A1 (0.42) LMNAALDH1A1MEN1MAPTMAPK1
SCHEMBL7668647 0.77 LMNA (0.54) LMNAALDH1A1MAPTKMT2ACA1

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