SCHEMBL6544284

SCHEMBL6544284

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

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.63
ALDH1A1 P00352 6/20 0.62
CNR1 P21554 1/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 2/20 0.53
THRB P10828 1/20 0.53
MCHR1 Q99705 1/20 0.50
CTSD P07339 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
TRPM5 Q9NZQ8 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL6544288 1.00 GAA (0.63) GAAALDH1A1CNR1LMNASMN1; SMN2
SCHEMBL6544464 0.91 GAA (0.52) GAAALDH1A1CNR1LMNASMN1; SMN2
SCHEMBL6544461 0.91 GAA (0.52) GAAALDH1A1CNR1LMNASMN1; SMN2
SCHEMBL6545079 0.91 ALDH1A1 (0.61) GAAALDH1A1LMNATHRBCA12
SCHEMBL6545074 0.91 ALDH1A1 (0.61) GAAALDH1A1LMNATHRBCA12
SCHEMBL6544510 0.91 ALDH1A1 (0.58) GAAALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6544508 0.91 ALDH1A1 (0.58) GAAALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6544741 0.89 ALDH1A1 (0.57) GAAALDH1A1LMNATHRBCA12
SCHEMBL6544737 0.89 ALDH1A1 (0.57) GAAALDH1A1LMNATHRBCA12
SCHEMBL6544359 0.88 GAA (0.50) GAAALDH1A1THRBCA12CA1

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 5 patents. 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
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