SCHEMBL8788663

SCHEMBL8788663

O=C1C(O)CCN1c1nnc(C(F)(F)F)s1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCAT P04180 2/20 0.40
ATM Q13315 1/20 0.39
HTT P42858 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
MAPT P10636 1/20 0.35
SLC6A9 P48067 7/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7622250 0.82 ATM (0.39) LCATATMHTTALDH1A1MEN1
SCHEMBL7622258 0.82 ATM (0.39) LCATATMHTTALDH1A1MEN1
SCHEMBL7622254 0.82 ATM (0.39) LCATATMHTTALDH1A1MEN1
SCHEMBL8789208 0.77 OPRM1 (0.36) LCATATMHTTALDH1A1MEN1
Bromide SCHEMBL7619356 0.72 HTT (0.45) ATMHTTALDH1A1MEN1KMT2A
Bromide SCHEMBL7619352 0.72 HTT (0.45) ATMHTTALDH1A1MEN1KMT2A
SCHEMBL8787224 0.71 LCAT (0.43) LCATLMNA
SCHEMBL8788973 0.71 ATM (0.39) LCATATMHTTALDH1A1MEN1
SCHEMBL11819034 0.70 HTT (0.42) LCATATMHTTALDH1A1MEN1
SCHEMBL8787492 0.68 ALDH1A1 (0.39) LCATATMHTTALDH1A1MEN1

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