SCHEMBL8098867

SCHEMBL8098867

COc1cc(N2CSCC2=O)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
NPBWR1 P48145 2/20 0.38
MCHR1 Q99705 2/20 0.38
DPP4 P27487 2/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
LMNA P02545 1/20 0.37
NOX4 Q9NPH5 2/20 0.36
PHGDH O43175 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL8090313 0.85 MAPT (0.44) MAPTNFKB1NFKB2RELAALDH1A1
SCHEMBL8099041 0.78 MCHR1 (0.38) MAPTNPBWR1MCHR1DPP4FGFR2
SCHEMBL8105974 0.77 MEN1 (0.49) MAPTNPC1TP53TSHRNFKB1
SCHEMBL8090310 0.76 POLB (0.51) MAPTLMNANPC1RAB9AALDH1A1
SCHEMBL8098928 0.76 MAPT (0.44) MAPTDPP4NOX4
SCHEMBL8099334 0.76 MGLL (0.49) MAPTTP53
SCHEMBL8099176 0.75 DPP4 (0.38) NPBWR1MCHR1DPP4FGFR2FGFR3
SCHEMBL8099139 0.75 MAPT (0.36) MAPTLMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL8787841 0.73 CYP11B2 (0.40) MAPT
SCHEMBL8787824 0.71 MAPT (0.45) MAPTLMNAALDH1A1GAA

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 3 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
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed