SCHEMBL5246159

SCHEMBL5246159

FC(F)c1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
IDO1 P14902 2/20 0.43
TDO2 P48775 1/20 0.43
TSHR P16473 5/20 0.42
CYP3A4 P08684 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 1/20 0.39
ADRA2C P18825 1/20 0.38

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
SCHEMBL21994528 0.81 TP53 (0.52) TP53LMNAHTTIDO1TDO2
SCHEMBL16957103 0.80 TP53 (0.48) TP53LMNAHTTIDO1TSHR
SCHEMBL15440744 0.79 TP53 (0.60) TP53LMNAHTTIDO1TDO2
SCHEMBL8163042 0.78 TRPV4 (0.52) TP53LMNAHTTIDO1TDO2
SCHEMBL20680189 0.78 TP53 (0.48) TP53LMNAHTTIDO1TDO2
SCHEMBL7560420 0.77 TP53 (0.58) TP53LMNAHTTIDO1TDO2
SCHEMBL29700271 0.77 TP53 (0.58) TP53LMNAHTTIDO1TDO2
SCHEMBL24427618 0.76 TP53 (0.38) TP53LMNAHTTIDO1TDO2
SCHEMBL20856719 0.76 CYP3A4 (0.52) TP53LMNAHTTTSHRCYP3A4
SCHEMBL12058637 0.76 LMNA (0.42) TP53LMNAHTTTSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1502908-B1 Process for fluorurating ethers MITENI SPA (IT) 2007-09-12 EP disclosed
EP-1502908-A1 Process for fluorurating ethers MITENI S.p.A. (IT) 2005-02-02 EP disclosed
US-5026895-A For cultivated plants BUDAPESTI VEGYIMUVEK (HU) 1991-06-25 US disclosed