SCHEMBL8872850

SCHEMBL8872850

O=[N+]([O-])c1c(Cl)c(Cl)cc2nc(O)c(O)c(O)c12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.49
▸ GRIN2D O15399 4/20 0.43
▸ GRIN3B O60391 4/20 0.43
▸ GRIN1 Q05586 4/20 0.43
▸ GRIN2A Q12879 4/20 0.43
▸ GRIN2B Q13224 4/20 0.43
▸ GRIN2C Q14957 4/20 0.43
▸ GRIN3A Q8TCU5 4/20 0.43
▸ DCTPP1 Q9H773 7/20 0.40
▸ GLP1R P43220 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ GPR35 Q9HC97 2/20 0.37
▸ CDK2 P24941 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34

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
SCHEMBL8873577 0.77 TSHR (0.50) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8873008 0.77 HSD17B10 (0.41) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8873631 0.76 DCTPP1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8871774 0.76 MEN1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873618 0.76 GPR35 (0.34) GPR35
SCHEMBL14842067 0.72 GRIN2D (0.50) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5064995 0.71 TSHR (0.72) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5594904 0.71 HSD17B10 (0.43) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8872719 0.70 GRIN2D (0.50) TSHRGRIN2DGRIN3BGRIN1GRIN2A
Tecnazene SCHEMBL3014845 0.68 TSHR (1.00) TSHRGRIN2DGRIN3BGRIN1GRIN2A

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
Send feedback