SCHEMBL8098748

SCHEMBL8098748

FC(F)(F)c1cccc(NCCBr)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
GAA P10253 4/20 0.49
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
XBP1 P17861 1/20 0.47
RAB9A P51151 2/20 0.47
IDH2 P48735 2/20 0.47
HTT P42858 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.46
IDO1 P14902 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KIF11 P52732 1/20 0.46

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
SCHEMBL16241281 0.87 KIF11 (0.51) MAPTGAAALDH1A1NPSR1TDP1
SCHEMBL11114461 0.85 MAPT (0.51) MAPTGAAALDH1A1NPSR1TDP1
SCHEMBL10738876 0.81 YAP1 (0.51) MAPTGAAALDH1A1NPSR1TDP1
SCHEMBL20714773 0.81 MAPT (0.49) MAPTGAAALDH1A1NPSR1TDP1
SCHEMBL15203805 0.81 TAAR1 (0.53) MAPTGAAALDH1A1NPSR1TDP1
SCHEMBL8102983 0.81 MAPT (0.53) MAPTGAAALDH1A1NPSR1TDP1
SCHEMBL6232265 0.81 LMNA (0.63) MAPTGAAALDH1A1NPSR1TDP1
SCHEMBL11115754 0.80 MAPT (0.61) MAPTGAAALDH1A1NPSR1TDP1
Hydrochloric Acid SCHEMBL10740311 0.80 YAP1 (0.50) MAPTGAAALDH1A1NPSR1TDP1
SCHEMBL11118351 0.80 MAPT (0.51) MAPTGAAALDH1A1NPSR1TDP1

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