SCHEMBL7668449

SCHEMBL7668449

COc1ccc(CCNC(=O)C(NSC)c2ccc(-c3ccccc3)cc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 5/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
MEN1 O00255 1/20 0.50
SLC2A1 P11166 1/20 0.50
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49

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 0.92 LMNA (0.61) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL7676013 0.90 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL7672988 0.89 CA12 (0.49) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL7677540 0.89 LMNA (0.50) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL7670219 0.88 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL7668647 0.80 LMNA (0.54) ALDH1A1CA12CA1CA2CA9
SCHEMBL2778736 0.79 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL7674397 0.78 KMT2A (0.46) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL742343 0.78 KMT2A (0.71) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL7672709 0.78 LMNA (0.46) SMN1; SMN2ALDH1A1CA12CA1CA2

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