SCHEMBL6544741

SCHEMBL6544741

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
GAA P10253 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA12 O43570 1/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 1/20 0.47
THRB P10828 1/20 0.47
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL6544737 1.00 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AGAAMEN1
SCHEMBL6544359 0.91 GAA (0.50) ALDH1A1GAAMEN1KMT2ACA1
SCHEMBL6544363 0.91 GAA (0.50) ALDH1A1GAAMEN1KMT2ACA1
SCHEMBL6545074 0.90 ALDH1A1 (0.61) ALDH1A1GAAMEN1KMT2ACA1
SCHEMBL6544508 0.90 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AGAAMEN1
SCHEMBL6545079 0.90 ALDH1A1 (0.61) ALDH1A1GAAMEN1KMT2ACA1
SCHEMBL6544510 0.90 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AGAAMEN1
SCHEMBL6544284 0.89 GAA (0.63) ALDH1A1GAACA1CA2CA9
SCHEMBL6544288 0.89 GAA (0.63) ALDH1A1GAACA1CA2CA9
SCHEMBL6544461 0.87 GAA (0.52) ALDH1A1GAAMEN1KMT2ACA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140819-B1 ALFA-SULFENIMINO ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-02 EP disclosed
US-6479550-B1 α-sulfenimino acid derivatives SYNGENTA CROP PROTECTION, INC. 2002-11-12 US disclosed
EP-1140819-A1 ALFA-SULFENIMINO ACID DERIVATIVES Syngenta Participations AG (CH) 2001-10-10 EP disclosed
WO-2000042007-A1 ALFA-SULFENIMINO ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-07-20 WO disclosed