SCHEMBL8788973

SCHEMBL8788973

O=C1C(Cl)SCN1c1nnc(C(F)(F)F)s1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.35
LCAT P04180 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.31
SLC6A9 P48067 2/20 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
SCHEMBL8789208 0.82 OPRM1 (0.36) ATMOPRM1OPRL1ALDH1A1HTT
SCHEMBL8787492 0.74 ALDH1A1 (0.39) ATMOPRM1OPRL1ALDH1A1HTT
SCHEMBL8788467 0.71 LMNA (0.34) OPRM1OPRL1ALDH1A1HTTMEN1
SCHEMBL8788663 0.71 LCAT (0.40) ATMOPRM1OPRL1ALDH1A1HTT
SCHEMBL7622250 0.71 ATM (0.39) ATMOPRM1OPRL1ALDH1A1HTT
SCHEMBL7622254 0.71 ATM (0.39) ATMOPRM1OPRL1ALDH1A1HTT
SCHEMBL11819034 0.67 HTT (0.42) ATMOPRM1OPRL1ALDH1A1HTT
SCHEMBL12507023 0.65 OPRM1 (0.36) ATMOPRM1OPRL1ALDH1A1HTT
SCHEMBL8787883 0.65 OPRM1 (0.39) OPRM1LCAT
SCHEMBL10732284 0.65 L3MBTL1 (0.39) ALDH1A1HTTMEN1KMT2ALMNA

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