SCHEMBL4013731

SCHEMBL4013731

O=C(O)Cc1cccc(C2=CCCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.42
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 3/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 2/20 0.41
NAMPT P43490 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40

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
SCHEMBL4011931 0.94 KDM4E (0.46) KDM4EPTGDR2ALDH1A1KMT2AMEN1
SCHEMBL4017920 0.82 PKM (0.44) KDM4EALDH1A1KMT2AMAPTPKM
SCHEMBL4010336 0.78 KDM4E (0.41) KDM4EPTGDR2ALDH1A1KMT2AMEN1
SCHEMBL4013174 0.76 PTGDR2 (0.43) KDM4EPTGDR2ALDH1A1KMT2AMEN1
SCHEMBL29140059 0.75 KDM4E (0.65) KDM4EALDH1A1KMT2AMEN1PKM
SCHEMBL14366676 0.74 GAA (0.37) ALDH1A1KMT2AMAPTGAA
SCHEMBL3929084 0.73 MAPT (0.55) KDM4EPTGDR2ALDH1A1KMT2AMEN1
SCHEMBL3938045 0.73 MAPT (0.55) KDM4EPTGDR2ALDH1A1KMT2AMEN1
SCHEMBL3941517 0.73 MAPT (0.55) KDM4EPTGDR2ALDH1A1KMT2AMEN1
SCHEMBL3942010 0.72 USP5 (0.61) PTGDR2KMT2APKMTSHR

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-2044017-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 EP disclosed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed