SCHEMBL8977679

SCHEMBL8977679

COC(=S)Nc1ccc(Cl)cc1.NC(O)=S

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
NOX1 Q9Y5S8 1/20 0.49
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
EPHX1 P07099 1/20 0.46
PKM P14618 1/20 0.45
ATM Q13315 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6963209 0.82 ALDH1A1 (0.59) MAPTALDH1A1RAB9ANPC1NOX1
SCHEMBL8977748 0.81 CYP1A2 (0.61) MAPTALDH1A1RAB9ANPC1GAA
SCHEMBL8103756 0.79 SMN1; SMN2 (0.52) MAPTALDH1A1RAB9ANPC1GAA
SCHEMBL4399387 0.78 SMN1; SMN2 (0.46) MAPTKDM4EALDH1A1SMN1; SMN2EPHX1
SCHEMBL25190230 0.76 MAPT (0.53) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL5881947 0.76 MAPT (0.65) MAPTALDH1A1GAASMN1; SMN2MEN1
SCHEMBL1615892 0.76 TAS2R38 (0.60) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL526059 0.76 MAPT (0.63) MAPTKDM4EALDH1A1RAB9ANPC1
SCHEMBL10973104 0.74 ALDH1A1 (0.51) MAPTKDM4EALDH1A1RAB9ANPC1
Thiourea SCHEMBL1991944 0.74 MAPT (0.73) MAPTKDM4EALDH1A1RAB9ANPC1

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
US-5510344-A Acrylate fungicides SCHERING AGROCHEMICALS LIMITED (GB) 1996-04-23 US disclosed
EP-0378308-B1 Acrylate fungicides AGREVO UK LTD (GB) 1996-04-10 EP disclosed
US-5332752-A Acrylate fungicides SCHERING AGROCHEMICALS LIMITED (GB) 1994-07-26 US disclosed
EP-0378308-A1 Acrylate fungicides AgrEvo UK Limited (GB) 1990-07-18 EP disclosed