SCHEMBL6509757

SCHEMBL6509757

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 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
MPI P34949 1/20 0.42
PHOSPHO1 Q8TCT1 1/20 0.42
HTT P42858 1/20 0.42
CYP17A1 P05093 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2C P28335 1/20 0.41
HTR3A P46098 1/20 0.41

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
SCHEMBL8103984 0.86 CA12 (0.46) DRD2DRD3CA12CA1CA2
SCHEMBL8098966 0.85 ADRB1 (0.36)
SCHEMBL8090519 0.83 HTR7 (0.46) MEN1KMT2ADRD2DRD3CA12
SCHEMBL8787665 0.83 MEN1 (0.43) MEN1KMT2ADRD2DRD3CA12
SCHEMBL8788747 0.83 CA12 (0.45) MEN1KMT2ADRD2DRD3CA12
SCHEMBL5827269 0.83 MEN1 (0.43) MEN1KMT2ADRD2DRD3CA12
SCHEMBL8098667 0.82 HDAC1 (0.38) CA12CA2CA9MPIPHOSPHO1
SCHEMBL8096938 0.81 FADS1 (0.44) MEN1KMT2ADRD2DRD3ALDH1A1
SCHEMBL6508550 0.81 CA12 (0.43) MEN1KMT2ADRD2DRD3CA12
SCHEMBL8089666 0.81 DRD2 (0.44) DRD2DRD3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005000824-A1 LAZOLIDINE DERIVATIVES AS HERBICIDAL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-06 WO disclosed
CN-1341594-A Substituted pyrrolidone, thiazolidone or oxazolidone as herbicide ZENECA LTD (GB) 2002-03-27 CN disclosed
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
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
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed
US-4664694-A NONPHYTOTOXIC UNIROYAL CHEMICAL COMPANY, INC. (US) 1987-05-12 US disclosed
EP-0200415-A1 Substituted thiazolidinones UNIROYAL CHEMICAL COMPANY, Inc. (US) 1986-11-05 EP disclosed