SCHEMBL6700565

SCHEMBL6700565

COC(=O)Cn1c(C(=O)NC(N)=S)cc2cc(C)cc(C)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 2/20 0.34
MAPT P10636 4/20 0.33
CALCRL Q16602 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PKN1 Q16512 1/20 0.32
PKN2 Q16513 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DYRK1A Q13627 1/20 0.31
LMNA P02545 1/20 0.30
HK1 P19367 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30

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 0.82 MAPT (0.44) ALDH1A1HSD17B10MAPTPOLBKDM4E
SCHEMBL6703975 0.81 ALDH1A1 (0.42) ALDH1A1HPGDNPSR1HSD17B10MAPT
SCHEMBL6700835 0.79 MAPT (0.40) NPSR1MAPTPOLBSMN1; SMN2RAB9A
SCHEMBL6702995 0.74 HSD17B10 (0.42) ALDH1A1HSD17B10MAPTKDM4ESMN1; SMN2
SCHEMBL6699798 0.74 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1HSD17B10MAPT
SCHEMBL7681737 0.71 KDM4E (0.42) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL7683854 0.68 CACNA1B (0.39) ALDH1A1KDM4EL3MBTL1
SCHEMBL6704684 0.68 MAPT (0.51) ALDH1A1HPGDNPSR1HSD17B10MAPT
SCHEMBL26581456 0.65 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL14198913 0.64 ALDH1A1 (0.41) ALDH1A1HPGDNPSR1HSD17B10MAPT

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