SCHEMBL6544508

SCHEMBL6544508

COc1ccc(CCNC(=O)/C(=N\SC)c2ccc(-c3ccccc3)cc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
PLAAT3 P53816 1/20 0.55
PLAAT5 Q96KN8 1/20 0.55
PLAAT2 Q9NWW9 1/20 0.55
PLAAT4 Q9UL19 1/20 0.55
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 2/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
LMNA P02545 1/20 0.52
SLC2A1 P11166 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL6544510 1.00 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2PLAAT3PLAAT5PLAAT2
SCHEMBL6545079 0.92 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL6545074 0.92 ALDH1A1 (0.61) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL6544288 0.91 GAA (0.63) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL6544284 0.91 GAA (0.63) ALDH1A1SMN1; SMN2MAPTHPGDLMNA
SCHEMBL6544741 0.90 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL6544737 0.90 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL6544359 0.89 GAA (0.50) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL6544363 0.89 GAA (0.50) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL6544461 0.88 GAA (0.52) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1

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