SCHEMBL9054730

SCHEMBL9054730

O=C1N[C@H](Cc2ccccc2)C(=O)Nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.52
HDAC8 Q9BY41 2/20 0.49
TNKS2 Q9H2K2 4/20 0.46
PDGFRA P16234 1/20 0.44
FER P16591 1/20 0.44
LTK P29376 1/20 0.44
CDK8 P49336 1/20 0.44
ACVR1 Q04771 1/20 0.44
LRRK2 Q5S007 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
TACR1 P25103 2/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CACNA1B Q00975 1/20 0.43

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
SCHEMBL8871789 1.00 GFER (0.52) GFERHDAC8TNKS2PDGFRAFER
SCHEMBL8871785 1.00 GFER (0.52) GFERHDAC8TNKS2PDGFRAFER
SCHEMBL6037887 0.83 KDM4E (0.58) GFERHDAC8TACR1KDM4EALDH1A1
SCHEMBL6037889 0.83 KDM4E (0.58) GFERHDAC8TACR1KDM4EALDH1A1
SCHEMBL10326494 0.83 KDM4E (0.58) GFERHDAC8TACR1KDM4EALDH1A1
SCHEMBL6617124 0.83 GABRA1 (0.46) GFERHDAC8LRRK2MAPTMGAT2
SCHEMBL9054969 0.83 HDAC8 (0.43) GFERHDAC8MGAT2
SCHEMBL6619605 0.83 GABRA1 (0.46) GFERHDAC8LRRK2MAPTMGAT2
SCHEMBL6635223 0.83 CCKBR (0.47) HDAC8LRRK2MGAT2MEN1KMT2A
SCHEMBL6616775 0.83 MAOA (0.51) GFERHDAC8LRRK2DYRK1BKDM4E

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