SCHEMBL7676013

SCHEMBL7676013

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 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
SCHEMBL7672988 0.93 CA12 (0.49) ALDH1A1CA12CA1CA2CA9
SCHEMBL7668449 0.90 SMN1; SMN2 (0.58) ALDH1A1CA12CA1CA2CA9
SCHEMBL7675428 0.90 LMNA (0.61) ALDH1A1CA12CA1CA2CA9
SCHEMBL7670219 0.88 SMN1; SMN2 (0.48) ALDH1A1CA12CA1CA2CA9
SCHEMBL7677540 0.87 LMNA (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL7668647 0.78 LMNA (0.54) ALDH1A1CA12CA1CA2CA9
SCHEMBL7674397 0.77 KMT2A (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL6544741 0.77 ALDH1A1 (0.57) ALDH1A1CA12CA1CA2CA9
SCHEMBL6544737 0.77 ALDH1A1 (0.57) ALDH1A1CA12CA1CA2CA9
SCHEMBL7672709 0.76 LMNA (0.46) ALDH1A1CA12CA1CA2CA9

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