SCHEMBL6964996

SCHEMBL6964996

CC(C)(C)c1cc(Cc2nc3cc(Cl)cc(C#Cc4ccccn4)c3o2)cc(C(C)(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
GAA P10253 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
DHFR P00374 1/20 0.33
ERN1 O75460 1/20 0.33
MRE11 P49959 1/20 0.32
PTGES O14684 1/20 0.32
AKR1C3 P42330 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GRM5 P41594 2/20 0.31
IDH1 O75874 2/20 0.31
F2 P00734 1/20 0.31
KCNH2 Q12809 1/20 0.31
KIT P10721 1/20 0.31

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
SCHEMBL6960215 0.88 GAA (0.36) PTGDR2GAAMEN1KMT2ADHFR
SCHEMBL7310660 0.82 DHFR (0.33) DHFR
SCHEMBL7679979 0.81 DHFR (0.34) GAAMEN1KMT2ADHFRNPC1
SCHEMBL6971919 0.80 DHFR (0.36) GAAMEN1KMT2ADHFRNPC1
SCHEMBL8324863 0.79 DHFR (0.33) DHFR
SCHEMBL6972804 0.74 DHFR (0.38) GAAMEN1KMT2ADHFRNPC1
SCHEMBL6960025 0.74 GRM5 (0.34) PTGDR2MEN1KMT2ADHFRERN1
SCHEMBL7686120 0.72 GAA (0.34) GAAMEN1KMT2ADHFRMRE11
SCHEMBL7733912 0.70 NPC1 (0.31) NPC1RAB9A
SCHEMBL7735172 0.69 SMN1; SMN2 (0.59) GAAMEN1KMT2ADHFRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785927-B1 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 2003-08-27 EP claimed
EP-1160247-A1 6,5-Fused aromatic ring systems having enhanced phosphodiesterae IV inhibitory activity Euro-Celtique S.A. (LU) 2001-12-05 EP claimed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP claimed
US-5665737-A PHOSPHODIESTERASE INHIBITORS EURO-CELTIQUE, S.A. (LU) 1997-09-09 US claimed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP claimed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO claimed
EP-2193808-A1 Synergistic combination Nycomed GmbH (DE) 2010-06-09 EP disclosed
EP-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
EP-0785927-B1 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 2003-08-27 EP disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
US-6365606-B1 TREATMENT OF DISEASES WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF CYTOKINES; SIDE EFFECT REDUCTION; ISOINDOLES; BRONCHODILATOR; ANTI-INFLAMMATORY AGENT EURO-CELTIQUE, S.A. (LU) 2002-04-02 US disclosed
EP-1160247-A1 6,5-Fused aromatic ring systems having enhanced phosphodiesterae IV inhibitory activity Euro-Celtique S.A. (LU) 2001-12-05 EP disclosed
JP-2001316314-A 6,5-UNITED AROMATIC RING SYSTEM HAVING POTENTIATED PHOSPHODIESTERASE IV INHIBITING ACTIVITY EURO CELTIQUE SA 2001-11-13 JP disclosed
US-6075016-A 6,5-fused aromatic ring systems having enhanced phosphodiesterase IV inhibitory activity EURO-CELTIQUE S.A. (LU) 2000-06-13 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
US-5665737-A PHOSPHODIESTERASE INHIBITORS EURO-CELTIQUE, S.A. (LU) 1997-09-09 US disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed