SCHEMBL8991956

SCHEMBL8991956

COc1cc(/C=C2\SCN(C)C2=O)cc(OC)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.56
CISD1 Q9NZ45 1/20 0.53
MEN1 O00255 12/20 0.51
KMT2A Q03164 12/20 0.51
MAPT P10636 6/20 0.51
POLB P06746 6/20 0.51
KDM4E B2RXH2 4/20 0.51
HPGD P15428 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MCL1 Q07820 2/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 1/20 0.51
XBP1 P17861 1/20 0.51
CYP2B6 P20813 1/20 0.51
MPI P34949 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 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
SCHEMBL8991957 1.00 IGF1R (0.56) IGF1RCISD1MEN1KMT2AMAPT
SCHEMBL8537140 0.81 MEN1 (0.50) IGF1RCISD1MEN1KMT2AMAPT
SCHEMBL8537136 0.81 MEN1 (0.50) IGF1RCISD1MEN1KMT2AMAPT
SCHEMBL8957287 0.79 CYP1A2 (0.50) IGF1RCISD1MEN1KMT2AMAPT
SCHEMBL8537121 0.78 CYP1A2 (0.51) IGF1RCYP3A4CYP2B6
SCHEMBL8532780 0.78 PTGS2 (0.56) MEN1KMT2AALDH1A1GAA
SCHEMBL8537123 0.78 CYP1A2 (0.51) IGF1RCYP3A4CYP2B6
SCHEMBL8532777 0.78 PTGS2 (0.56) MEN1KMT2AALDH1A1GAA
SCHEMBL8532250 0.76 CYP1A2 (0.40) IGF1RCISD1MEN1KMT2AMAPT
SCHEMBL8532254 0.76 CYP1A2 (0.40) IGF1RCISD1MEN1KMT2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500337-A1 Composition containing aryl-substituted rhodanine derivatives for the treatment of type I diabetes UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-08-26 EP claimed
EP-0722729-A2 Aryl-substituted rhodanines for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
EP-0500337-A1 Composition containing aryl-substituted rhodanine derivatives for the treatment of type I diabetes UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-08-26 EP disclosed