SCHEMBL8788652

SCHEMBL8788652

O=C1CSCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
APAF1 O14727 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 2/20 0.42
ABL1 P00519 1/20 0.42
MAOB P27338 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
GAA P10253 1/20 0.40
DPP4 P27487 1/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL8788103 0.78 ADRB1 (0.47) MAPTKDM4EALDH1A1
SCHEMBL8098928 0.76 MAPT (0.44) MAPTOPRM1OPRL1DPP4MEN1
SCHEMBL8787513 0.73 KDM4E (0.45) MAPTKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL15993850 0.73 KDM4E (0.56) MAPTKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8787935 0.72 ALDH1A1 (0.39) MAPTALDH1A1GAA
SCHEMBL31074188 0.72 TDO2 (0.48) MAPTKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL18979270 0.72 MAPT (0.48) MAPTKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL1578382 0.71 MAPT (0.48) MAPTKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8788804 0.71 CA2 (0.41) MAPTALDH1A1DPP4
SCHEMBL8103368 0.71 MAPT (0.49) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA

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