SCHEMBL807520

SCHEMBL807520

CC(C)c1c(F)cc(C#N)cc1C#N

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.34
CYP11B1 P15538 5/20 0.33
CYP11B2 P19099 5/20 0.33
TTR P02766 1/20 0.32
ALB P02768 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
VCAM1 P19320 1/20 0.31
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
KHK P50053 1/20 0.30

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
SCHEMBL12263154 0.88 TTR (0.37) TRPV4TTRALBGAASMN1; SMN2
SCHEMBL13748207 0.82 TRPV4 (0.35) TRPV4CYP11B1CYP11B2ADRB2ADRB1
SCHEMBL807272 0.81 MET (0.36) TTRALBGAASMN1; SMN2VCAM1
SCHEMBL26457748 0.81 CYP11B1 (0.35) TRPV4CYP11B1CYP11B2ADRB2ADRB1
SCHEMBL26080843 0.81 EGLN2 (0.37) TTRALBGAASMN1; SMN2FFAR1
SCHEMBL24606679 0.81 ADRB2 (0.40) TRPV4CYP11B1CYP11B2ADRB2ADRB1
SCHEMBL18999982 0.80 TRPV4 (0.41) TRPV4CYP11B1CYP11B2ADRB2ADRB1
SCHEMBL18612531 0.79 TRPV4 (0.31) TRPV4TTRALBGAASMN1; SMN2
SCHEMBL21756945 0.79 TRPV4 (0.33) TRPV4CYP11B1CYP11B2ADRB2ADRB1
SCHEMBL26458345 0.79 KHK (0.36) TRPV4CYP11B1CYP11B2KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012035039-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-03-22 WO disclosed