SCHEMBL8787665

SCHEMBL8787665

O=C1C(S)SCN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX5 P09917 2/20 0.42
PMM2 O15305 1/20 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
SCHEMBL6509757 0.83 MEN1 (0.43) MEN1KMT2ADRD2DRD3CA12
SCHEMBL8788747 0.83 CA12 (0.45) MEN1KMT2ADRD2DRD3CA12
SCHEMBL8090519 0.83 HTR7 (0.46) MEN1KMT2ANPC1TP53MAPT
SCHEMBL5827269 0.83 MEN1 (0.43) MEN1KMT2ADRD2DRD3CA12
SCHEMBL6508550 0.81 CA12 (0.43) MEN1KMT2ANPC1TP53MAPT
SCHEMBL8789224 0.78 NPC1 (0.44) NPC1TP53MAPTTSHRNFKB1
SCHEMBL766087 0.77 CFTR (0.44) MEN1KMT2ATP53DRD2DRD3
SCHEMBL8788601 0.77 CCR2 (0.42) MEN1KMT2AMAPTALDH1A1
SCHEMBL8790062 0.76 CFTR (0.41) MEN1KMT2ATSHRDRD2DRD3
SCHEMBL8787447 0.75 HTR7 (0.40) NPC1TP53MAPTTSHRNFKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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