SCHEMBL6544478

SCHEMBL6544478

CC#COc1ccc(CCNC(=O)C(=NSC)c2ccc(C)cc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
THRB P10828 1/20 0.52
LMNA P02545 4/20 0.47
MAPT P10636 4/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL6545074 0.88 ALDH1A1 (0.61) ALDH1A1THRBLMNAMAPTADRB2
SCHEMBL6545079 0.88 ALDH1A1 (0.61) ALDH1A1THRBLMNAMAPTADRB2
SCHEMBL6544510 0.80 ALDH1A1 (0.58) ALDH1A1LMNAMAPTKMT2AGAA
SCHEMBL6544508 0.80 ALDH1A1 (0.58) ALDH1A1LMNAMAPTKMT2AGAA
SCHEMBL6544284 0.79 GAA (0.63) ALDH1A1THRBLMNAMAPTGAA
SCHEMBL6544288 0.79 GAA (0.63) ALDH1A1THRBLMNAMAPTGAA
SCHEMBL19718589 0.79 ALDH1A1 (0.69) ALDH1A1THRBLMNAMAPTADRB2
SCHEMBL6544737 0.78 ALDH1A1 (0.57) ALDH1A1THRBLMNAMAPTKMT2A
SCHEMBL6544741 0.78 ALDH1A1 (0.57) ALDH1A1THRBLMNAMAPTKMT2A
SCHEMBL344325 0.78 ALDH1A1 (0.67) ALDH1A1THRBLMNAMAPTADRB2

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