SCHEMBL6545204

SCHEMBL6545204

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPT P10636 4/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTGER1 P34995 1/20 0.47
TRPV1 Q8NER1 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 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
SCHEMBL6545202 1.00 ALDH1A1 (0.49) ALDH1A1MAPTHPGDLMNAPKM
SCHEMBL6544363 0.89 GAA (0.50) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6544359 0.89 GAA (0.50) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL6544510 0.88 ALDH1A1 (0.58) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL6545074 0.88 ALDH1A1 (0.61) ALDH1A1MAPTLMNAPKMMEN1
SCHEMBL6544508 0.88 ALDH1A1 (0.58) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL6545079 0.88 ALDH1A1 (0.61) ALDH1A1MAPTLMNAPKMMEN1
SCHEMBL6544288 0.87 GAA (0.63) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL6544284 0.87 GAA (0.63) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL6544741 0.86 ALDH1A1 (0.57) ALDH1A1MAPTHPGDLMNAPKM

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