SCHEMBL8103626

SCHEMBL8103626

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.49
NOTUM Q6P988 1/20 0.41
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CFTR P13569 1/20 0.34
PIN1 Q13526 1/20 0.34
KAT2B Q92831 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
SCHEMBL8103236 0.86 NOTUM (0.43) ARNOTUM
SCHEMBL8096896 0.84 AR (0.49) ARNOTUMCFTR
SCHEMBL8090604 0.82 KAT2B (0.49) PIN1KAT2B
SCHEMBL6511176 0.82 AR (0.50) ARNOTUM
SCHEMBL8098667 0.79 HDAC1 (0.38) NOTUM
SCHEMBL6509757 0.77 MEN1 (0.43)
SCHEMBL8099362 0.76 AR (0.52) ARNOTUMCFTR
SCHEMBL8090063 0.76 HTR7 (0.38)
SCHEMBL8098966 0.76 ADRB1 (0.36)
SCHEMBL8097654 0.75 ALOX15 (0.43)

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 3 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
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed