SCHEMBL3932020

SCHEMBL3932020

O=C(O)Cc1cccc(C2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 3/20 0.50
HSP90AA1 P07900 1/20 0.50
MEN1 O00255 2/20 0.46
BCL9 O00512 4/20 0.45
CTNNB1 P35222 4/20 0.45
FAAH O00519 1/20 0.44
USP5 P45974 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C1 Q04828 1/20 0.43
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
EPHX2 P34913 1/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3939617 0.89 KMT2A (0.45) ALDH1A1KMT2AHSP90AA1MEN1BCL9
SCHEMBL3941700 0.89 BCL9 (0.54) ALDH1A1KMT2AMEN1BCL9CTNNB1
SCHEMBL3929084 0.87 MAPT (0.55) ALDH1A1KMT2AMEN1BCL9CTNNB1
SCHEMBL3938045 0.87 MAPT (0.55) ALDH1A1KMT2AMEN1BCL9CTNNB1
SCHEMBL3930676 0.87 BCL9 (0.49) KMT2AMEN1BCL9CTNNB1USP5
SCHEMBL3932070 0.87 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1BCL9CTNNB1
SCHEMBL4110985 0.87 SMN1; SMN2 (0.48) KMT2AMEN1BCL9CTNNB1USP5
SCHEMBL3941517 0.87 MAPT (0.55) ALDH1A1KMT2AMEN1BCL9CTNNB1
SCHEMBL14366755 0.87 MEN1 (0.48) KMT2AMEN1BCL9CTNNB1USP5
SCHEMBL3937652 0.86 MEN1 (0.50) ALDH1A1KMT2AMEN1BCL9CTNNB1

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