SCHEMBL7675428

SCHEMBL7675428

COc1ccc(CCNC(=O)C(NSC)c2ccc(-c3ccc(C)cc3)cc2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
PKM P14618 1/20 0.58
ALDH1A1 P00352 3/20 0.55
THRB P10828 1/20 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 4/20 0.52
KMT2A Q03164 1/20 0.51
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL7668449 0.92 SMN1; SMN2 (0.58) LMNAALDH1A1CA12CA1CA2
SCHEMBL7676013 0.90 ALDH1A1 (0.50) LMNAPKMALDH1A1CA12CA1
SCHEMBL7672988 0.89 CA12 (0.49) LMNAPKMALDH1A1CA12CA1
SCHEMBL7677540 0.89 LMNA (0.50) LMNAPKMALDH1A1THRBCA12
SCHEMBL7670219 0.88 SMN1; SMN2 (0.48) LMNAPKMALDH1A1CA12CA1
SCHEMBL7668647 0.88 LMNA (0.54) LMNAPKMALDH1A1THRBCA12
SCHEMBL7674397 0.78 KMT2A (0.46) LMNAALDH1A1CA12CA1CA2
SCHEMBL7672709 0.78 LMNA (0.46) LMNAALDH1A1CA12CA1CA2
SCHEMBL7675476 0.75 ALDH1A1 (0.43) LMNAALDH1A1CA12CA1CA2
SCHEMBL7676614 0.75 ALDH1A1 (0.44) LMNAALDH1A1CA12CA1CA2

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