SCHEMBL8103463

SCHEMBL8103463

O=C(NC12CC3CC(CC(C3)C1)C2)OC1SCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ELANE P08246 1/20 0.37
ATM Q13315 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL8099403 0.85 MEN1 (0.38) SMN1; SMN2KMT2AMEN1
SCHEMBL8090122 0.83 MEN1 (0.39) SMN1; SMN2KMT2AMEN1ELANE
SCHEMBL2053916 0.81 MEN1 (0.38) SMN1; SMN2KMT2AMEN1
SCHEMBL8105918 0.81 CTSS (0.38) KMT2AMEN1ELANE
SCHEMBL8104045 0.81 NPSR1 (0.46) SMN1; SMN2KMT2AMEN1
SCHEMBL8098502 0.81 LMNA (0.48) SMN1; SMN2KMT2AMEN1
SCHEMBL8090603 0.81 LMNA (0.43) KMT2AMEN1ELANE
SCHEMBL8103260 0.80 FAAH (0.37) SMN1; SMN2KMT2AMEN1
SCHEMBL8106103 0.80 LMNA (0.48) EPHX2SMN1; SMN2
SCHEMBL8105435 0.79 RAB9A (0.37) SMN1; SMN2KMT2AMEN1

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