SCHEMBL8099428

SCHEMBL8099428

O=C1C(O)OCCN1c1cccc(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
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NOTUM Q6P988 1/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
ALOX5 P09917 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5827283 0.86 MEN1 (0.46) CA12CA1CA2CA9MEN1
SCHEMBL7610183 0.81 CA12 (0.55) CA12CA1CA2CA9NOTUM
SCHEMBL7611284 0.81 CA12 (0.55) CA12CA1CA2CA9NOTUM
SCHEMBL7607804 0.81 CA12 (0.55) CA12CA1CA2CA9NOTUM
SCHEMBL8099178 0.78 POLB (0.50) CA12CA1CA2CA9NOTUM
SCHEMBL8090399 0.76 CA12 (0.46) CA12CA1CA2CA9MEN1
SCHEMBL3589083 0.76 MEN1 (0.49) MEN1KMT2ADRD2DRD3ALOX5
SCHEMBL16466989 0.76 ROCK2 (0.50) MEN1KMT2ADRD2DRD3ALDH1A1
SCHEMBL8090258 0.76 CA12 (0.40) CA12CA1CA2CA9MEN1
SCHEMBL5827269 0.76 MEN1 (0.43) CA12CA1CA2CA9MEN1

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