SCHEMBL589209

SCHEMBL589209

O=C(C(=Cc1ccccc1)c1ccccc1)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.63
MAPT P10636 6/20 0.54
HPGD P15428 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
LMNA P02545 4/20 0.54
HTT P42858 3/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
TRPA1 O75762 1/20 0.50
CES1 P23141 1/20 0.48
NPSR1 Q6W5P4 4/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
PLA2G1B P04054 1/20 0.46
CYP1A2 P05177 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46

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
SCHEMBL6250579 0.89 CYP19A1 (0.53) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL6933532 0.89 AKR1C1 (0.50) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL6250582 0.89 CYP19A1 (0.53) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL14163953 0.85 AKR1C1 (0.71) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL26200067 0.81 AKR1C1 (0.63) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL7073967 0.80 AKR1C1 (0.42) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL2962953 0.79 CES1 (0.50) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL13412380 0.79 CES1 (0.50) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL2962954 0.79 CES1 (0.50) AKR1C1MAPTHPGDMEN1KMT2A
SCHEMBL28653460 0.79 AKR1C1 (0.70) AKR1C1MAPTHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822559-A1 IMIDAZO [1, 2 - B]PYRIDAZINE - BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF Lexicon Pharmaceuticals, Inc. (US) 2015-01-14 EP disclosed
WO-2013134219-A1 IMIDAZO [1, 2 - B] PYRIDAZINE - BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF LEXICON PHARMACEUTICALS, INC. (US) 2013-09-12 WO disclosed
US-8114509-B2 Metal oxide membrane with a gas-selective compound EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2012-02-14 US disclosed
US-20090199619-A1 Metal oxide membrane with a gas-selective compound UNIVERSIDAD DE GRANADA (ES) 2009-08-13 US disclosed
EP-1889050-B1 METAL OXIDE MEMBRANE WITH A GAS-SELECTIVE COMPOUND EIDGENOESS TECH HOCHSCHULE (CH) 2009-02-25 EP disclosed
EP-1889050-A1 METAL OXIDE MEMBRANE WITH A GAS-SELECTIVE COMPOUND Eidgenössische Technische Hochschule Zürich (CH) 2008-02-20 EP disclosed
WO-2006119986-A1 METAL OXIDE MEMBRANE WITH A GAS-SELECTIVE COMPOUND EIDGENÖSSICHE TECHNISCHE HOCHSCHULE ZÜRICH (CH) 2006-11-16 WO disclosed
EP-1722223-A1 Metal oxide membrane with a gas-selective compound Eidgenossisch Technische Hochschule Zürich (CH) 2006-11-15 EP disclosed