SCHEMBL3939617

SCHEMBL3939617

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HSP90AA1 P07900 1/20 0.45
BCL9 O00512 5/20 0.44
CTNNB1 P35222 5/20 0.44
FAAH O00519 1/20 0.44
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.42
EPHX2 P34913 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
SCHEMBL3932020 0.89 ALDH1A1 (0.50) KMT2AALDH1A1HSP90AA1BCL9CTNNB1
SCHEMBL3940272 0.89 ALDH1A1 (0.50) KMT2AALDH1A1BCL9CTNNB1MEN1
SCHEMBL3941453 0.89 BCL9 (0.47) KMT2AALDH1A1BCL9CTNNB1MEN1
SCHEMBL3935829 0.88 NPC1 (0.53) KMT2AALDH1A1BCL9CTNNB1MEN1
SCHEMBL3941513 0.88 SMN1; SMN2 (0.48) KMT2ABCL9CTNNB1MEN1LMNA
SCHEMBL3936472 0.88 TP53 (0.48) KMT2AALDH1A1BCL9CTNNB1MEN1
SCHEMBL3933582 0.88 GAA (0.49) KMT2AALDH1A1BCL9CTNNB1MEN1
SCHEMBL3928444 0.86 BCL9 (0.55) KMT2AALDH1A1BCL9CTNNB1MEN1
SCHEMBL3930533 0.86 BCL9 (0.50) KMT2AALDH1A1BCL9CTNNB1MEN1
SCHEMBL3932848 0.85 BCL9 (0.47) ALDH1A1BCL9CTNNB1LMNA

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 2 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