SCHEMBL6699798

SCHEMBL6699798

COC(=O)Cn1c(C(=O)NC(N)=S)cc2cc(OC)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HPGD P15428 6/20 0.51
KDM4E B2RXH2 4/20 0.51
HSD17B10 Q99714 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 4/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CCR2 P41597 2/20 0.43
PTGS2 P35354 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DYRK1A Q13627 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL6704936 0.87 MAPT (0.44) ALDH1A1KDM4EHSD17B10L3MBTL1MAPT
SCHEMBL6703464 0.82 KDM4E (0.62) ALDH1A1HPGDKDM4EHSD17B10L3MBTL1
SCHEMBL6702995 0.77 HSD17B10 (0.42) ALDH1A1KDM4EHSD17B10MAPTSMN1; SMN2
SCHEMBL6717869 0.76 MAPT (0.55) ALDH1A1HPGDKDM4EHSD17B10L3MBTL1
SCHEMBL7090816 0.75 L3MBTL1 (0.44) ALDH1A1HPGDKDM4EHSD17B10L3MBTL1
SCHEMBL8366395 0.73 MAPT (0.52) ALDH1A1HPGDKDM4EHSD17B10L3MBTL1
SCHEMBL28044292 0.72 KDM4E (0.67) ALDH1A1HPGDKDM4EHSD17B10L3MBTL1
SCHEMBL3952568 0.71 HSD17B10 (0.56) ALDH1A1HPGDKDM4EHSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL8687313 0.69 L3MBTL1 (0.65) ALDH1A1HPGDKDM4EHSD17B10L3MBTL1
SCHEMBL7087440 0.69 KDM4E (0.55) ALDH1A1KDM4EHSD17B10SMN1; SMN2CCR2

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
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed