SCHEMBL255764

SCHEMBL255764

COC(=O)CCC(=O)N(C)c1nnc(C2=CCCN=C2Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.43
HSD17B10 Q99714 7/20 0.43
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 5/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.36
CYP1A2 P05177 2/20 0.36
MAPK1 P28482 1/20 0.34
TSHR P16473 1/20 0.33
NPC1 O15118 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL10246929 0.73 HSD17B10 (0.54) KDM4EHSD17B10ALDH1A1RAB9ATP53
SCHEMBL255430 0.73 HSD17B10 (0.53) KDM4EHSD17B10ALDH1A1RAB9ATP53
SCHEMBL10247154 0.73 KDM4E (0.67) KDM4EHSD17B10ALDH1A1RAB9ATP53
SCHEMBL10246820 0.66 HSD17B10 (0.44) KDM4EHSD17B10ALDH1A1RAB9ATP53
SCHEMBL16050328 0.56 TSHR (0.59) KDM4EHSD17B10ALDH1A1MAPTTSHR
SCHEMBL11696398 0.55 TSHR (0.65) KDM4EHSD17B10ALDH1A1MAPTTSHR
SCHEMBL14791591 0.54 MAPT (0.40) KDM4EHSD17B10ALDH1A1RAB9AHPGD
SCHEMBL14286866 0.54 TSHR (0.62) KDM4EHSD17B10ALDH1A1MAPTTSHR
SCHEMBL24662863 0.54 ALDH1A1 (0.36) HSD17B10ALDH1A1HPGDSMN1; SMN2MAPT
Dimethyl Succinate SCHEMBL28054469 0.53 TSHR (1.00) KDM4EHSD17B10ALDH1A1HPGDMAPT

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-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed