SCHEMBL1697133

SCHEMBL1697133

O=C(O)c1c[nH]nc1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.48
MRGPRX4 Q96LA9 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
DAO P14920 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
ACP3 P15309 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MMP1 P03956 1/20 0.43
MMP12 P39900 1/20 0.43
PRKCA P17252 1/20 0.42

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
SCHEMBL5055900 0.84 KDM4E (0.48) MRGPRX4MEN1MAPTKMT2AALDH1A1
SCHEMBL6856480 0.84 HCAR2 (0.54) NR4A2DAO
SCHEMBL4017043 0.81 HCAR2 (0.45) ALDH1A1CYP2C9
SCHEMBL2749287 0.79 ALDH1A1 (0.55) NR4A2MRGPRX4MEN1MAPTKMT2A
SCHEMBL8122044 0.74 MMP1 (0.51) NR4A2MEN1MAPTKMT2ADAO
SCHEMBL16298245 0.73 MRGPRX4 (0.66) NR4A2MRGPRX4MEN1MAPTKMT2A
SCHEMBL4438725 0.73 DAO (0.55) NR4A2MEN1MAPTKMT2ADAO
SCHEMBL17288592 0.72 NR4A2 (0.46) NR4A2MRGPRX4MEN1MAPTKMT2A
SCHEMBL2721465 0.72 NR4A2 (0.66) NR4A2MRGPRX4MEN1MAPTKMT2A
SCHEMBL16024705 0.71 LMNA (0.63) NR4A2MRGPRX4MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595630-A1 USE OF A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING PULMONARY HYPERTENSION Gilead Sciences, Inc. (US) 2013-05-29 EP disclosed
WO-2012003220-A1 USE OF A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING PULMONARY HYPERTENSION GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed
EP-1996201-A2 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2008-12-03 EP disclosed
WO-2007109547-A2 METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-09-27 WO disclosed
EP-1799221-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-06-27 EP disclosed
EP-1789053-A2 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-05-30 EP disclosed
EP-1685132-A1 A sb 2B /sb ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-08-02 EP disclosed
WO-2006044610-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC (US) 2006-04-27 WO disclosed
WO-2006028810-A2 METHOD OF WOUND HEALING USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-03-16 WO disclosed
WO-2005051951-A1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-06-09 WO disclosed