SCHEMBL2198533

SCHEMBL2198533

N#Cc1cc(F)ccc1F.N#Cc1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.46
TRPV4 Q9HBA0 2/20 0.46
CNR1 P21554 5/20 0.41
CNR2 P34972 3/20 0.41
CYP11B1 P15538 2/20 0.41
VCAM1 P19320 1/20 0.40
AR P10275 4/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL221378 0.83 TRPV4 (0.57) CYP11B2TRPV4CYP11B1ARMAOA
SCHEMBL101711 0.83 TRPV4 (0.61) CYP11B2TRPV4VCAM1ARCYP3A4
SCHEMBL74807 0.83 TRPV4 (0.46) CYP11B2TRPV4CNR2CYP11B1AR
SCHEMBL481131 0.81 CYP2A6 (0.46) CYP11B2TRPV4CYP11B1VCAM1AR
SCHEMBL29998893 0.81 CYP2A6 (0.46) CYP11B2TRPV4CYP11B1VCAM1AR
SCHEMBL4716620 0.78 TAS1R3 (0.52) CYP11B2TRPV4CNR1CNR2CYP11B1
SCHEMBL6069435 0.78 CNR1 (0.47) CYP11B2CNR1CNR2VCAM1ALDH1A1
SCHEMBL5969755 0.76 AR (0.43) CYP11B2TRPV4CYP11B1ARSLC22A12
SCHEMBL496891 0.75 TRPV4 (0.57) CYP11B2TRPV4CYP11B1VCAM1MAOA
SCHEMBL1481701 0.75 VCAM1 (0.48) CYP11B2TRPV4CYP11B1VCAM1ALDH1A1

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
US-20110168631-A1 METHODS AND APPARATUSES FOR WATER FILTRATION USING POLYARYLETHER MEMBRANES GENERAL ELECTRIC COMPANY (US) 2011-07-14 US disclosed
US-7977451-B2 polyphenylene ethers used for blood dialysis and filtration GENERAL ELECTRIC COMPANY (US) 2011-07-12 US disclosed
US-7695628-B2 hollow fiber modules comprising blends of polyphenylene ethers block polymers and polyvinylpyrrolidone, used for blood dialysis and filtration GENERAL ELECTRIC COMPANY (US) 2010-04-13 US disclosed
US-20080142443-A1 POLYARYLETHER MEMBRANES GENERAL ELECTRIC (US) 2008-06-19 US disclosed
WO-2008073532-A1 POLYARYLETHER MEMBRANES GENERAL ELECTRIC COMPANY (US) 2008-06-19 WO disclosed
US-20080142442-A1 hollow fiber modules comprising blends of polyphenylene ethers block polymers and polyvinylpyrrolidone, used for blood dialysis and filtration GENERAL ELECTRIC (US) 2008-06-19 US disclosed
WO-2008073537-A1 FUNCTIONAL POLYARYLETERS GENERAL ELECTRIC COMPANY (US) 2008-06-19 WO disclosed
WO-2008073536-A1 FUNCTIONAL POLYARYLETHERS GENERAL ELECTRIC COMPANY (US) 2008-06-19 WO disclosed