SCHEMBL7705718

SCHEMBL7705718

CCCCCc1n[nH]c(=S)o1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL21144227 0.98 ALDH1A1 (0.51) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL21377060 0.86 ALDH1A1 (0.60) ALDH1A1POLBKMT2AMEN1MAPT
SCHEMBL9528998 0.71 SORT1 (0.59) HSD17B10MTNR1B
SCHEMBL1063939 0.68 MAPT (0.52) ALDH1A1KMT2AMEN1MAPT
SCHEMBL22528851 0.66 ALDH1A1 (0.44) ALDH1A1POLBKMT2ANPSR1KDM4E
SCHEMBL22190355 0.61 HSD17B10 (0.37) ALDH1A1KMT2AMEN1MAPTHSD17B10
SCHEMBL9748643 0.61 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EHPGD
SCHEMBL29713365 0.61 MAPT (0.45) ALDH1A1KMT2AMEN1MAPTHSD17B10
SCHEMBL14489684 0.60 MAPT (0.48) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL21210733 0.60 MAPT (0.48) ALDH1A1KMT2AMEN1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002079176-A1 PROCESS FOR 2,4-DISUBSTITUTED-1,3,4-OXADIAZOLINE-5-THIONE AND 5-ONE COMPOUNDS DOW AGROSCIENCES LLC (US) 2002-10-10 WO disclosed