SCHEMBL8787979

SCHEMBL8787979

Cc1cc(C)nc(NCSCC(=O)O)n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
KDM4E B2RXH2 2/20 0.58
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
VCP P55072 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL21963629 0.77 KMT2A (0.68) KMT2AKDM4EMEN1GAAMAPK1
SCHEMBL8791213 0.76 KMT2A (0.53) KMT2AKDM4EMEN1GAAMAPK1
SCHEMBL5717697 0.73 GAA (0.66) KMT2AKDM4EMEN1GAAHPGD
SCHEMBL3867453 0.68 MAPT (0.62) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL8787975 0.67 KMT2A (0.44) KMT2AKDM4EMEN1GAAHPGD
SCHEMBL9461214 0.66 HTT (0.67) KMT2AKDM4EMEN1GAAMAPK1
SCHEMBL8788065 0.66 PKM (0.55) GAA
SCHEMBL10880388 0.66 FABP4 (0.63) KMT2AMEN1GAAHPGDALDH1A1
SCHEMBL8349354 0.65 KMT2A (0.58) KMT2AKDM4EMEN1GAAMAPK1
SCHEMBL17726103 0.65 KDM4E (0.51) KDM4EHPGDHSD17B10TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed