SCHEMBL8873153

SCHEMBL8873153

Cc1cc(C)c2c(c1)NC(=O)C(=NO)C2=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA4 P22748 2/20 0.34
CA7 P43166 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
CES1 P23141 2/20 0.33
BCHE P06276 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
AGTR1 P30556 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8873148 1.00 MEN1 (0.42) MEN1KMT2ACA1CA2CA4
SCHEMBL8873953 0.95 MEN1 (0.41) MEN1KMT2ACA1CA2CA4
SCHEMBL8873951 0.95 MEN1 (0.41) MEN1KMT2ACA1CA2CA4
SCHEMBL8872978 0.92 MEN1 (0.38) MEN1KMT2ACA1CA2CA4
SCHEMBL8872975 0.92 MEN1 (0.38) MEN1KMT2ACA1CA2CA4
SCHEMBL618886 0.81 CES1 (0.47) MEN1KMT2ACA1CA2CA4
SCHEMBL8873254 0.79 CES1 (0.42) MEN1KMT2ACA1CA2CA4
SCHEMBL8871895 0.73 CES1 (0.44) MEN1KMT2ACA1CA2CA4
SCHEMBL8871891 0.73 CES1 (0.44) MEN1KMT2ACA1CA2CA4
SCHEMBL7052297 0.72 CES1 (0.66) CES1

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