SCHEMBL8874206

SCHEMBL8874206

CCCCNC=C1C(=O)Nc2ccc(Cl)cc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
TDO2 P48775 2/20 0.43
CHEK1 O14757 1/20 0.43
TGM2 P21980 2/20 0.42
MDM2 Q00987 1/20 0.39
LRRK2 Q5S007 4/20 0.39
RPS6KA3 P51812 1/20 0.39
RET P07949 1/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
CES1 P23141 2/20 0.38
PDGFRB P09619 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8872366 0.85 CSNK1G1 (0.43) TGM2LRRK2RETPDGFRBMAPT
SCHEMBL8873330 0.84 TGM2 (0.42) TGM2PDGFRB
SCHEMBL8872071 0.83 KDM4E (0.45) IDO1TGM2LRRK2RPS6KA3PDGFRB
SCHEMBL8874331 0.82 CES1 (0.37) IDO1TDO2TGM2CES1
SCHEMBL8872465 0.81 JUN (0.40) LRRK2RETMAPT
SCHEMBL2306718 0.78 CHRM1 (0.45) IDO1TDO2TGM2MDM2LRRK2
SCHEMBL2306713 0.78 CHRM1 (0.45) IDO1TDO2TGM2MDM2LRRK2
SCHEMBL9054681 0.77 KDM4E (0.30) IDO1TDO2
SCHEMBL13024507 0.75 ADH1B (0.42) MAPT
SCHEMBL8872369 0.73 KDM4E (0.33) MAPT

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