SCHEMBL3209199

SCHEMBL3209199

Cc1cccc(-c2ccc[c]c2C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.45
PDK2 Q15119 1/20 0.40
AR P10275 1/20 0.40
PTPN5 P54829 1/20 0.38
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
CHEK1 O14757 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
PRKACA P17612 1/20 0.36
LTK P29376 1/20 0.36

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
SCHEMBL1207131 0.82 RORC (0.43) PTPN5MAOBAKR1C3AKR1C2ADORA1
SCHEMBL2430766 0.82 NT5E (0.41) PDK2MAP4K4PIM1PRKACAGSK3B
SCHEMBL3678971 0.81 ENPP1 (0.40) ENPP1PDK2ARPTPN5ADRA2A
SCHEMBL5198909 0.81 PDK2 (0.40) PDK2MAOBADORA1
SCHEMBL4279210 0.81 HSD17B1 (0.41) ARMAP4K4PDGFRBPIM1FGFR1
SCHEMBL455371 0.79 ALDH1A1 (0.40) ENPP1
SCHEMBL3537988 0.78 ACHE (0.41) ENPP1PDK2CNR2CNR1CHEK1
SCHEMBL8074571 0.77 PTPN5 (0.34) PTPN5
SCHEMBL7007684 0.76 HTR7 (0.38)
SCHEMBL2428521 0.75 HSD17B1 (0.34) PDK2ARMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683082-B2 3-(5-p-tolyl-[1,2,4]oxadiazol-3-yl)-benzoic acid; translation of mRNA is allowed to continue past a nonsense mutation point, resulting in full length protein; genetic disorders; testing whether a compound increases activity of a protein encoded by an mRNA that contains a premature stop codon PTC THERAPEUTICS, INC. (US) 2010-03-23 US disclosed