SCHEMBL10698070

SCHEMBL10698070

Oc1cc(Cl)c(C(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 3/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
KDR P35968 1/20 0.38
KIF11 P52732 1/20 0.37
TSHR P16473 4/20 0.37
HSD17B10 Q99714 4/20 0.37
HPGD P15428 2/20 0.37
NOTUM Q6P988 1/20 0.35
CYP3A4 P08684 2/20 0.34
HSP90AA1 P07900 1/20 0.34
IDO1 P14902 2/20 0.34
PDK1 Q15118 1/20 0.34
COMT P21964 1/20 0.34
NPFFR2 Q9Y5X5 2/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 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
SCHEMBL4340005 0.91 HTR3E (0.42) TMPRSS4HTR3EHTR3BHTR3AHTR3D
SCHEMBL8975023 0.81 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10697706 0.79 KIF11 (0.45) KIF11CA3CA6CA5ACA9
SCHEMBL7272204 0.79 NOTUM (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23239698 0.77 RAPGEF4 (0.40) TMPRSS4HTR3EHTR3BHTR3AHTR3D
SCHEMBL31379539 0.77 TMPRSS4 (0.38) TMPRSS4HTR3EHTR3BHTR3AHTR3D
SCHEMBL1023973 0.77 ALDH1A1 (0.43) TMPRSS4HTR3EHTR3BHTR3AHTR3D
SCHEMBL17959909 0.77 TMPRSS4 (0.38) TMPRSS4HTR3EHTR3BHTR3AHTR3D
SCHEMBL26772968 0.76 LMNA (0.39) TMPRSS4HTR3EHTR3BHTR3AHTR3D
SCHEMBL26649343 0.76 HSD17B10 (0.55) TSHRHSD17B10HPGDCYP3A4HSP90AA1

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
EP-0272533-A2 Substituted phenoxypyridines BAYER AG (DE) 1988-06-29 EP disclosed