SCHEMBL4716620

SCHEMBL4716620

N#Cc1c(F)cccc1F.N#Cc1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
TRPV4 Q9HBA0 3/20 0.44
CYP11B2 P19099 5/20 0.42
VCAM1 P19320 1/20 0.39
AR P10275 4/20 0.39
MRGPRX4 Q96LA9 4/20 0.38
CYP11B1 P15538 3/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL101711 0.82 TRPV4 (0.61) TRPV4CYP11B2VCAM1ARMRGPRX4
SCHEMBL2198533 0.78 CYP11B2 (0.46) TRPV4CYP11B2VCAM1ARCYP11B1
Dichlobenil SCHEMBL28814465 0.76 KDM4E (0.46) TAS1R3TAS1R1TAS1R2TRPV4
SCHEMBL186269 0.75 ALDH1A1 (0.50) TAS1R3TAS1R1TAS1R2TRPV4
SCHEMBL5711187 0.75 CYP11B2 (0.54) TRPV4CYP11B2ARCYP11B1
SCHEMBL496891 0.74 TRPV4 (0.57) TRPV4CYP11B2VCAM1CYP11B1MAOA
SCHEMBL186023 0.74 KDM4E (0.47) TAS1R3TAS1R1TAS1R2
SCHEMBL3338599 0.72 AR (0.43) TRPV4CYP11B2ARCYP11B1
SCHEMBL29998893 0.72 CYP2A6 (0.46) TRPV4CYP11B2VCAM1ARCYP11B1
SCHEMBL481131 0.72 CYP2A6 (0.46) TRPV4CYP11B2VCAM1ARCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080135481-A1 POLYARYLETHERNITRILE HOLLOW FIBER MEMBRANES GENERAL ELECTRIC COMPANY (US) 2008-06-12 US claimed
WO-2008070216-A1 POLYARYLETHERNITRILE HOLLOW FIBER MEMBRANES GENERAL ELECTRIC COMPANY (US) 2008-06-12 WO claimed