SCHEMBL27516144

SCHEMBL27516144

N#CC=Cc1cccc(C2CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.50
DRD2 P14416 7/20 0.36
DRD3 P35462 7/20 0.36
KDM4E B2RXH2 1/20 0.36
FDPS P14324 1/20 0.36
ESR1 P03372 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HTR2C P28335 4/20 0.34
JAK3 P52333 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
KMO O15229 1/20 0.33
NOTUM Q6P988 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
SCHEMBL2281214 0.79 ENPP2 (0.46) ENPP2KDM4EFDPSESR1JAK3
SCHEMBL2281217 0.79 ENPP2 (0.46) ENPP2KDM4EFDPSESR1JAK3
SCHEMBL28154656 0.77 HTR2C (0.41) DRD2DRD3HTR2CHDAC4HDAC2
SCHEMBL28048626 0.74 CCNB2 (0.53) DRD2DRD3KDM4EHTR2CHDAC4
SCHEMBL31519011 0.72 TP53 (0.47) DRD2DRD3HTR2CHDAC4HDAC2
SCHEMBL2918145 0.72 HTR2C (0.43) DRD2DRD3HTR2CHDAC4HDAC2
SCHEMBL10373192 0.72 DRD2 (0.54) DRD2DRD3HTR2CHDAC4HDAC2
SCHEMBL14530044 0.72 HTR2C (0.40) DRD2DRD3HTR2CHDAC4HDAC2
SCHEMBL16951187 0.72 TP53 (0.47) DRD2DRD3HTR2CHDAC4HDAC2
SCHEMBL16957586 0.72 HDAC4 (0.42) DRD2DRD3KDM4EHTR2CHDAC4

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
CN-1262270-A Aryl and heteroaryl cyclopropyl oximidoether and its application as bactericide and pesticide ROHM & HAAS (US) 2000-08-09 CN disclosed