SCHEMBL7687973

SCHEMBL7687973

COc1cc(-c2nn(C)c(C(N)=O)c2C)c(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RIPK2 O43353 2/20 0.36
MAP2 P11137 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35
TERT O14746 2/20 0.35
SHMT2 P34897 1/20 0.35
HTT P42858 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PPOX P50336 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
POLB P06746 1/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL7693977 0.88 MAPT (0.40) MAPTTP53KDM4EALDH1A1SHMT2
SCHEMBL7487729 0.80 MAPT (0.41) MAPTTP53KDM4EALDH1A1SHMT2
SCHEMBL8035641 0.77 HSP90AA1 (0.34) ALDH1A1HTTPPOXHSP90AA1HSP90AB1
SCHEMBL7690601 0.76 HSP90AB1 (0.39) PPOXHSP90AA1HSP90AB1
SCHEMBL7692478 0.74 GRM5 (0.40) MAPTKDM4EALDH1A1SHMT2HTT
SCHEMBL7687213 0.72 HTR5A (0.38) TGFBR1HTTKMT2A
SCHEMBL5398257 0.72 CYP1A2 (0.35) MAPTHTR2AHTR2CNPC1RAB9A
SCHEMBL9530563 0.71 PTGS2 (0.39) MAPTTP53KDM4EALDH1A1NPC1
SCHEMBL6281955 0.71 PPOX (0.37) MAPTTP53ALDH1A1HTTHTR2A
SCHEMBL7489274 0.70 HSP90AB1 (0.38) MAPTTP53ALDH1A1RAB9APPOX

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6339046-B1 FOR CONTROLLING WEEDS SYNGENTA INVESTMENT CORPORATION 2002-01-15 US disclosed
EP-0839808-A1 Pyrazole derivatives, processes for their preparation, and their use as herbicides Novartis AG (CH) 1998-05-06 EP disclosed