SCHEMBL8098504

SCHEMBL8098504

O=C(Nc1ccccc1)OC1SC(c2cccc(C(F)(F)F)c2)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.44
GUSB P08236 1/20 0.40
KCNK3 O14649 1/20 0.40
GRIN2B Q13224 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 2/20 0.39
CHUK O15111 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8090125 0.86 GUSB (0.44) KMT2AMEN1MAPTHTTLMNA
SCHEMBL8097561 0.85 LMNA (0.44) KMT2AMEN1MAPTHTTLMNA
SCHEMBL8090428 0.85 MAPT (0.40) KMT2AMEN1MAPTHTTLMNA
SCHEMBL8090064 0.84 GUSB (0.43) KMT2AMEN1MAPTHTTLMNA
SCHEMBL8090605 0.83 GUSB (0.42) KMT2AMAPTHTTLMNAGUSB
SCHEMBL8098712 0.83 NPSR1 (0.46) KMT2AMEN1MAPTLMNAGUSB
SCHEMBL8106106 0.82 EPHX2 (0.47) KMT2AMAPTHTTLMNAGUSB
SCHEMBL8099407 0.81 GUSB (0.45) KMT2AMEN1MAPTHTTLMNA
SCHEMBL8792372 0.78 ALDH1A1 (0.41) KMT2AMEN1MAPTHTTLMNA
SCHEMBL8106100 0.76 NPSR1 (0.43) KMT2AMEN1MAPTHTTLMNA

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