SCHEMBL3930889

SCHEMBL3930889

N#Cc1ccc(Sc2cc(Cl)ccc2[O])c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.58
ITGB2 P05107 5/20 0.45
ICAM1 P05362 5/20 0.45
ITGAL P20701 5/20 0.45
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
USP7 Q93009 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RHEB Q15382 1/20 0.38
CYP3A4 P08684 4/20 0.37
CYP2D6 P10635 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
HTR1A P08908 1/20 0.37
HTR3A P46098 1/20 0.37
FLT1 P17948 1/20 0.36
FLT4 P35916 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
SCHEMBL7635636 0.87 AR (0.64) ARITGB2ICAM1ITGALMAOA
SCHEMBL3930893 0.82 MEN1 (0.61) ARITGB2ICAM1ITGALMAOA
SCHEMBL3938850 0.76 AR (0.49) ARITGB2ICAM1ITGALUSP7
SCHEMBL1332588 0.74 PTGDR2 (0.56) ARMAPTCYP2C9
SCHEMBL9087127 0.74 VCAM1 (0.48) ARMAOAMAOBMAPTFLT1
SCHEMBL694015 0.73 SLC6A2 (0.48) ARITGB2ICAM1ITGALMAOA
SCHEMBL721330 0.71 TRPV4 (0.43) ARMAOAMAOBMEN1KMT2A
SCHEMBL4440433 0.71 AR (0.60) ARITGB2ICAM1ITGALMAOA
SCHEMBL14378077 0.71 AR (0.65) ARMAOAMAOBMEN1KMT2A
SCHEMBL20755296 0.71 AR (0.56) ARMAOAMAOBMEN1KMT2A

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