SCHEMBL8787648

SCHEMBL8787648

O=C1C(O)SCN1c1cc(C(F)(F)F)nc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.39
ALDH1A1 P00352 2/20 0.36
KHK P50053 2/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL8788286 0.83 CYP17A1 (0.45) CYP17A1
SCHEMBL8099417 0.82 ADRB1 (0.36) MEN1KMT2A
SCHEMBL8789305 0.82 ALDH1A1 (0.34) ALDH1A1KHKALPLALPI
SCHEMBL8787612 0.76 P2RX7 (0.38)
SCHEMBL8789540 0.76 OPRM1 (0.38) CYP17A1
SCHEMBL8789507 0.76 ADRB1 (0.45) KMT2A
SCHEMBL8788983 0.76 GRIN2B (0.40)
SCHEMBL8089734 0.76 HDAC1 (0.41)
SCHEMBL5827269 0.74 MEN1 (0.43) CYP17A1ALDH1A1MEN1KMT2APOLB
SCHEMBL8099176 0.73 DPP4 (0.38) ALDH1A1GAA

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
CN-1341594-A Substituted pyrrolidone, thiazolidone or oxazolidone as herbicide ZENECA LTD (GB) 2002-03-27 CN disclosed
CN-1153512-A Substituted pyrrolidones, thiazolidinones or oxazolidinones as herbicides ZENECA LTD (GB) 1997-07-02 CN disclosed
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed