SCHEMBL9054969

SCHEMBL9054969

O=C1NC(Cc2ccccc2)C(=O)Nc2cc(F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.43
TACR2 P21452 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MGAT2 Q10469 1/20 0.38
GFER P55789 1/20 0.38
EGFR P00533 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PDGFRB P09619 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
SCHEMBL8874100 0.84 HDAC8 (0.43) HDAC8MAOAMAOBMGAT2GFER
SCHEMBL8873847 0.84 CES1 (0.44) HDAC8
SCHEMBL8871884 0.84 HDAC8 (0.40) HDAC8TACR2MAOAMAOBMGAT2
SCHEMBL9054730 0.83 GFER (0.52) HDAC8MGAT2GFER
SCHEMBL8871789 0.83 GFER (0.52) HDAC8MGAT2GFER
SCHEMBL8871785 0.83 GFER (0.52) HDAC8MGAT2GFER
SCHEMBL31621853 0.83 TGM2 (0.36) PDGFRB
SCHEMBL15293415 0.83 MGAT2 (0.43) HDAC8TACR2MAOAMAOBMGAT2
SCHEMBL6633256 0.81 HDAC8 (0.44) HDAC8MAOAMAOBMGAT2GFER
SCHEMBL6615848 0.80 MEN1 (0.47) HDAC8

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-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