SCHEMBL8090399

SCHEMBL8090399

O=C1C(O)SCCN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NOTUM Q6P988 1/20 0.44
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
ALOX5 P09917 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2C P28335 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP17A1 P05093 1/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL5827269 0.86 MEN1 (0.43) CA12CA1CA2CA9NOTUM
SCHEMBL8103984 0.84 CA12 (0.46) CA12CA1CA2CA9NOTUM
SCHEMBL7611284 0.81 CA12 (0.55) CA12CA1CA2CA9NOTUM
SCHEMBL7610183 0.81 CA12 (0.55) CA12CA1CA2CA9NOTUM
SCHEMBL7607804 0.81 CA12 (0.55) CA12CA1CA2CA9NOTUM
SCHEMBL8099178 0.78 POLB (0.50) CA12CA1CA2CA9NOTUM
SCHEMBL8099428 0.76 CA12 (0.46) CA12CA1CA2CA9NOTUM
SCHEMBL8096549 0.76 CA12 (0.40) CA12CA1CA2CA9NOTUM
SCHEMBL5827040 0.74 CA12 (0.57) CA12CA1CA2CA9NOTUM
SCHEMBL8788725 0.74 CA12 (0.57) CA12CA1CA2CA9NOTUM

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