SCHEMBL1274473

SCHEMBL1274473

FC(F)(F)c1cc(Cl)ccn1.FC(F)(F)c1cccc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
ABL1 P00519 2/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
ACVR1 Q04771 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
JAK2 O60674 1/20 0.42
NTRK1 P04629 1/20 0.42
RET P07949 1/20 0.42
JAK3 P52333 1/20 0.42
MAP2K1 Q02750 1/20 0.42
DAPK3 O43293 1/20 0.42
PDGFRB P09619 1/20 0.42
CDK8 P49336 1/20 0.42
CLK2 P49760 1/20 0.42
TYRO3 Q06418 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
GAA P10253 1/20 0.41
SMARCA2 P51531 1/20 0.41

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
SCHEMBL826349 0.84 LOXL2 (0.52) GAASMARCA2SMARCA4LOXL2LOX
Hydrochloric Acid SCHEMBL3745557 0.82 LOXL2 (0.53) GAASMARCA2SMARCA4LOXL2LOX
SCHEMBL29447907 0.82 CYP3A4 (0.64) CYP3A4TSHRIDH1IDH2
SCHEMBL119701 0.82 CYP3A4 (0.64) CYP3A4TSHRIDH1IDH2
SCHEMBL28202386 0.81 CYP3A4 (0.50) CYP3A4TSHRGAATGFBR1GRM5
SCHEMBL27112635 0.74 ACVR1 (0.50) ABL1GSK3AGSK3BACVR1CLK4
Bicarbonate SCHEMBL28211551 0.71 CYP3A4 (0.55) CYP3A4TSHRABL1GSK3AGSK3B
SCHEMBL16369760 0.70 LOXL2 (0.36) SMARCA2SMARCA4IDH1LOXL2LOX
SCHEMBL31543170 0.70 LOXL2 (0.36) SMARCA2SMARCA4IDH1LOXL2LOX
SCHEMBL29850129 0.69 LOXL2 (0.37) GAASMARCA2SMARCA4LOXL2LOX

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
EP-2462124-A2 MESOIONIC PESTICIDES E. I. du Pont de Nemours and Company (US) 2012-06-13 EP disclosed
WO-2011017342-A2 MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-10 WO disclosed