SCHEMBL5689585

SCHEMBL5689585

CC(=O)Nc1ccc(C(O)COS(=O)(=O)c2ccc(C)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GRIN2B Q13224 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.40
PTK2 Q05397 1/20 0.39
STAT3 P40763 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
ADRB3 P13945 1/20 0.38
MAPT P10636 1/20 0.38
PDE4A P27815 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5689580 1.00 RAB9A (0.45) RAB9ASMN1; SMN2GRIN2BKDM4EALDH1A1
SCHEMBL6136724 1.00 RAB9A (0.45) RAB9ASMN1; SMN2GRIN2BKDM4EALDH1A1
SCHEMBL5691476 0.87 CYP1A2 (0.55) RAB9ASMN1; SMN2GRIN2BKDM4EALDH1A1
SCHEMBL5691469 0.87 CYP1A2 (0.55) RAB9ASMN1; SMN2GRIN2BKDM4EALDH1A1
SCHEMBL4585219 0.82 SMN1; SMN2 (0.39) RAB9ASMN1; SMN2GRIN2BKDM4EALDH1A1
SCHEMBL4585228 0.82 SMN1; SMN2 (0.39) RAB9ASMN1; SMN2GRIN2BKDM4EALDH1A1
SCHEMBL4585225 0.82 SMN1; SMN2 (0.39) RAB9ASMN1; SMN2GRIN2BKDM4EALDH1A1
SCHEMBL6334993 0.80 ALDH1A1 (0.39) RAB9ASMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL6334992 0.80 ALDH1A1 (0.39) RAB9ASMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL8104515 0.80 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2GRIN2BKDM4EALDH1A1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0938476-B1 PROCESS FOR SUBSTITUTED PYRIDINES PFIZER (US) 2006-03-08 EP claimed
US-6291489-B1 USEFUL IN THE SYNTHESIS OF CERTAIN .BETA.-ADRENERGIC RECEPTOR AGONISTS PFIZER INC. 2001-09-18 US claimed
EP-0938476-A1 PROCESS FOR SUBSTITUTED PYRIDINES PFIZER INC. (US) 1999-09-01 EP claimed
WO-1998021184-A1 PROCESS FOR SUBSTITUTED PYRIDINES PFIZER INC. (US) 1998-05-22 WO claimed
EP-0938476-B1 PROCESS FOR SUBSTITUTED PYRIDINES PFIZER (US) 2006-03-08 EP disclosed
EP-0994105-B1 2-amino-pyridine intermediates for beta3-Adrenergic receptor agonists PFIZER PROD INC (US) 2005-12-14 EP disclosed
US-6657063-B1 (4-(2-(2-(6-aminopyridin-3-yl)-2(R)-hydroxyethylamino) ethoxy)phenyl)acetic acid derivatives; dietetics; hypotensive agents; non-insulin dependent diabetes treatment PFIZER INC. 2003-12-02 US disclosed
US-6291489-B1 USEFUL IN THE SYNTHESIS OF CERTAIN .BETA.-ADRENERGIC RECEPTOR AGONISTS PFIZER INC. 2001-09-18 US disclosed
US-6124457-A Process and intermediates for a β3 -adrenergic receptor agonist PFIZER INC. (US) 2000-09-26 US disclosed
US-6090942-A Process and intermediates for a β3 -adrenergic receptor agonist PFIZER INC. (US) 2000-07-18 US disclosed
EP-0994105-A2 2-amino-pyridine intermediates for beta3-Adrenergic receptor agonists Pfizer Products Inc. (US) 2000-04-19 EP disclosed
US-6001856-A β-adrenergic agonists to reduce a wasting condition PFIZER INC. (US) 1999-12-14 US disclosed
EP-0938476-A1 PROCESS FOR SUBSTITUTED PYRIDINES PFIZER INC. (US) 1999-09-01 EP disclosed
EP-0920864-A1 Combination therapy including a specific beta-3 agonist and an anorectic agent Pfizer Products Inc. (US) 1999-06-09 EP disclosed
EP-0887079-A1 Beta-Adrenergic agonists to reduce a wasting condition PFIZER INC. (US) 1998-12-30 EP disclosed
WO-1998021184-A1 PROCESS FOR SUBSTITUTED PYRIDINES PFIZER INC. (US) 1998-05-22 WO disclosed