SCHEMBL8096896

SCHEMBL8096896

O=C1C(O)SCN1c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.49
NOTUM Q6P988 1/20 0.44
CFTR P13569 2/20 0.36
TSHR P16473 1/20 0.34

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
SCHEMBL8098716 0.85 NOTUM (0.45) ARNOTUM
SCHEMBL8103626 0.84 AR (0.49) ARNOTUMCFTR
SCHEMBL6511176 0.82 AR (0.50) ARNOTUM
SCHEMBL8090534 0.81 KAT2B (0.48)
SCHEMBL8089734 0.79 HDAC1 (0.41) NOTUM
SCHEMBL5827269 0.77 MEN1 (0.43) NOTUM
SCHEMBL8090374 0.76 FFAR4 (0.39) TSHR
SCHEMBL8099417 0.76 ADRB1 (0.36) ARNOTUMCFTR
SCHEMBL8105719 0.75 AR (0.42) ARNOTUM
SCHEMBL8788286 0.75 CYP17A1 (0.45) AR

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