SCHEMBL6544359

SCHEMBL6544359

COc1ccc(CCNC(=O)/C(=N\SC)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
MAPT P10636 4/20 0.48
ALDH1A1 P00352 7/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA12 O43570 1/20 0.47
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
THRB P10828 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 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
SCHEMBL6544363 1.00 GAA (0.50) GAAMAPTALDH1A1CA1CA2
SCHEMBL6544741 0.91 ALDH1A1 (0.57) GAAMAPTALDH1A1CA1CA2
SCHEMBL6544737 0.91 ALDH1A1 (0.57) GAAMAPTALDH1A1CA1CA2
SCHEMBL6545074 0.89 ALDH1A1 (0.61) GAAMAPTALDH1A1CA1CA2
SCHEMBL6545079 0.89 ALDH1A1 (0.61) GAAMAPTALDH1A1CA1CA2
SCHEMBL6544508 0.89 ALDH1A1 (0.58) GAAMAPTALDH1A1HPGDMEN1
SCHEMBL6544510 0.89 ALDH1A1 (0.58) GAAMAPTALDH1A1HPGDMEN1
SCHEMBL6545204 0.89 ALDH1A1 (0.49) GAAMAPTALDH1A1HPGDMEN1
SCHEMBL6545202 0.89 ALDH1A1 (0.49) GAAMAPTALDH1A1HPGDMEN1
SCHEMBL6544284 0.88 GAA (0.63) GAAMAPTALDH1A1CA1CA2

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