SCHEMBL8103260

SCHEMBL8103260

C#CC1(NC(=O)OC2SCN(c3cccc(C(F)(F)F)c3)C2=O)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
HDAC11 Q96DB2 2/20 0.35
NOTUM Q6P988 1/20 0.34
DHFR P00374 1/20 0.34
CCR2 P41597 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8105918 0.90 CTSS (0.38) FAAHTRPV1MEN1KMT2APOLB
SCHEMBL8099403 0.83 MEN1 (0.38) DRD2DRD3MEN1KMT2AHDAC11
SCHEMBL8097661 0.82 ANO1 (0.38) MEN1KMT2APOLBNOTUMLMNA
SCHEMBL8106103 0.81 LMNA (0.48) POLBCCR2LMNAMAPTALOX12
SCHEMBL2053916 0.80 MEN1 (0.38) MEN1KMT2APOLBNOTUMCCR2
SCHEMBL8090122 0.80 MEN1 (0.39) MEN1KMT2APOLBNOTUMCCR2
SCHEMBL8103463 0.80 EPHX2 (0.48) MEN1KMT2ASMN1; SMN2
SCHEMBL8104045 0.80 NPSR1 (0.46) MEN1KMT2APOLBCCR2LMNA
SCHEMBL8105021 0.78 ELANE (0.41) MEN1KMT2A
SCHEMBL8103239 0.78 MEN1 (0.35) MEN1KMT2APOLBNOTUMLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed