SCHEMBL8873077

SCHEMBL8873077

O=C(O)CC1C(=O)Nc2cc(Cl)c(Cl)c(Cl)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
HTT P42858 3/20 0.36
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
EGFR P00533 1/20 0.34
KDM4E B2RXH2 5/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NTSR1 P30989 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8872754 0.83 TSHR (0.41) MAPTHTTKDM4ETSHRMEN1
SCHEMBL8873083 0.82 GAPDH (0.39) MAPTHTTKDM4EMEN1KMT2A
SCHEMBL8873308 0.73 MAPT (0.39) MAPTHTTHSD17B10GLAEGFR
SCHEMBL8874084 0.73 MAPT (0.42) MAPTHTTHSD17B10GLAEGFR
SCHEMBL1818809 0.71 HTT (0.35) MAPTHTTHSD17B10GLAEGFR
SCHEMBL8873705 0.69 MAPT (0.36) MAPTHTTHSD17B10GLATP53
SCHEMBL7784311 0.68 FFAR4 (0.33) HTTHSD17B10GLAEGFRKDM4E
SCHEMBL29437021 0.68 HSD17B10 (0.46) MAPTHTTHSD17B10GLAEGFR
SCHEMBL3338745 0.68 HSD17B10 (0.46) MAPTHTTHSD17B10GLAEGFR
SCHEMBL1822381 0.67 HSD17B10 (0.44) MAPTHTTHSD17B10GLAEGFR

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
US-5597922-A Glycine receptor antagonist pharmacophore STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1997-01-28 US disclosed
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1996-02-15 WO disclosed