SCHEMBL3930893

SCHEMBL3930893

N#Cc1ccc(Sc2cc(Cl)ccc2O)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
HSD17B10 Q99714 5/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 4/20 0.61
ALOX15 P16050 4/20 0.61
CYP3A4 P08684 3/20 0.61
HSP90AA1 P07900 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
HTT P42858 2/20 0.61
HIF1A Q16665 2/20 0.61
PLA2G1B P04054 1/20 0.61
ATG4B Q9Y4P1 1/20 0.61
AR P10275 2/20 0.55
TMPRSS4 Q9NRS4 2/20 0.42
ITGB2 P05107 2/20 0.41
ICAM1 P05362 2/20 0.41
ITGAL P20701 2/20 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
SCHEMBL7635636 0.87 AR (0.64) MEN1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL3930889 0.82 AR (0.58) MEN1KMT2AHSD17B10ALDH1A1HPGD
Fenticlor SCHEMBL29729454 0.78 HSD17B10 (1.00) MEN1KMT2AHSD17B10ALDH1A1HPGD
Fenticlor SCHEMBL23276 0.78 HSD17B10 (1.00) MEN1KMT2AHSD17B10ALDH1A1HPGD
SCHEMBL3938850 0.76 AR (0.49) MEN1KMT2AALDH1A1HPGDCYP3A4
Fenticlor SCHEMBL2898956 0.76 HSD17B10 (0.95) MEN1KMT2AHSD17B10ALDH1A1HPGD
SCHEMBL4521462 0.76 HPGD (0.56) MEN1KMT2AHSD17B10ALDH1A1HPGD
SCHEMBL1332588 0.74 PTGDR2 (0.56) CYP2C9ARTSHRMAPT
Fenticlor SCHEMBL8863189 0.74 HSD17B10 (0.91) MEN1KMT2AHSD17B10ALDH1A1HPGD
SCHEMBL407449 0.74 TSHR (0.50) HSD17B10ARTMPRSS4P2RX1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007502806-A 2007-02-15 JP claimed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP claimed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 WO claimed
EP-1660431-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP disclosed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 WO disclosed