SCHEMBL3941145

SCHEMBL3941145

O=C(O)Cc1cccc(C2CCCN(S(=O)(=O)c3cccs3)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
MAPT P10636 1/20 0.54
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 3/20 0.48
POLB P06746 2/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
HCRTR1 O43613 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX2 P34913 1/20 0.46

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
SCHEMBL3942405 0.89 KMT2A (0.55) GAAKMT2AMEN1MAPTKDM4E
SCHEMBL3938649 0.84 L3MBTL1 (0.57) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL3931056 0.84 TSHR (0.52) GAAKMT2AMAPTALDH1A1POLB
SCHEMBL3941700 0.84 BCL9 (0.54) GAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL3938165 0.83 BCL9 (0.53) KMT2AMEN1POLB
SCHEMBL3939587 0.82 DRD3 (0.47) KDM4EALDH1A1POLB
SCHEMBL3932070 0.81 ALDH1A1 (0.50) GAAKMT2AMEN1ALDH1A1MAPK1
SCHEMBL3929084 0.81 MAPT (0.55) GAAKMT2AMEN1MAPTKDM4E
SCHEMBL3941517 0.81 MAPT (0.55) GAAKMT2AMEN1MAPTKDM4E
SCHEMBL3938045 0.81 MAPT (0.55) GAAKMT2AMEN1MAPTKDM4E

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 5 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 claimed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO claimed
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