SCHEMBL10698002

SCHEMBL10698002

Oc1c(Cl)cc(C(F)(F)F)c(F)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.43
TSHR P16473 4/20 0.43
HPGD P15428 4/20 0.43
MAPK1 P28482 2/20 0.43
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
CYP2C19 P33261 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP1A2 P05177 2/20 0.37
ALOX15 P16050 2/20 0.37
ALOX12 P18054 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 3/20 0.36
RECQL P46063 2/20 0.36
TTR P02766 2/20 0.36
CASP1 P29466 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
SCHEMBL10695573 0.83 HTR3E (0.37) HSD17B10TSHRHPGDMAPK1HTR3E
SCHEMBL10695590 0.83 HSD17B10 (0.52) HSD17B10TSHRHPGDMAPK1HTR3E
SCHEMBL3175500 0.80 NOTUM (0.33) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7894304 0.75 TP53 (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9748215 0.75 ALDH1A1 (0.36) TSHRHTR3EHTR3BHTR3AHTR3D
SCHEMBL11713810 0.75 HSD17B10 (0.59) HSD17B10TSHRHPGDMAPK1CYP2C19
SCHEMBL7071048 0.73 IDO1 (0.33) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10554028 0.71 NOTUM (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8530898 0.71 ALDH1A1 (0.32) TSHRHPGDHIF1AALOX15CYP3A4
SCHEMBL4431998 0.71 ALDH1A1 (0.32) HTR3EHTR3BHTR3AHTR3DHTR3C

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