SCHEMBL8090428

SCHEMBL8090428

O=C(NC(c1ccccc1)c1ccccc1)OC1SC(c2cccc(C(F)(F)F)c2)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
XBP1 P17861 1/20 0.40
S1PR3 Q99500 1/20 0.40
SLC6A9 P48067 1/20 0.39
GUSB P08236 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MDM2 Q00987 1/20 0.37
HSD17B2 P37059 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PDE2A O00408 1/20 0.35
ALDH1A1 P00352 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CHRM3 P20309 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL8098712 0.87 NPSR1 (0.46) MAPTLMNASMN1; SMN2GUSBKDM4E
SCHEMBL8098504 0.85 KMT2A (0.45) MAPTLMNAHTTSMN1; SMN2XBP1
SCHEMBL8090125 0.83 GUSB (0.44) MAPTLMNAHTTSMN1; SMN2GUSB
SCHEMBL8097561 0.82 LMNA (0.44) MAPTLMNAHTTSMN1; SMN2MEN1
SCHEMBL8090064 0.82 GUSB (0.43) MAPTLMNAHTTSMN1; SMN2GUSB
SCHEMBL8090605 0.81 GUSB (0.42) MAPTLMNAHTTSMN1; SMN2GUSB
SCHEMBL8106106 0.79 EPHX2 (0.47) MAPTLMNAHTTSMN1; SMN2GUSB
SCHEMBL8099407 0.78 GUSB (0.45) MAPTLMNAHTTSMN1; SMN2GUSB
SCHEMBL8106100 0.78 NPSR1 (0.43) MAPTLMNAHTTSMN1; SMN2GUSB
SCHEMBL8792372 0.76 ALDH1A1 (0.41) MAPTLMNAHTTSMN1; SMN2GUSB

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
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
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed