SCHEMBL27786995

SCHEMBL27786995

CS(=O)(=O)c1cc(F)ccc1CCBr

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 8/20 0.39
ADRA1A P35348 6/20 0.39
ADRA1B P35368 6/20 0.39
ADRA2A P08913 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CCR2 P41597 1/20 0.35
SLC6A4 P31645 1/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
ADRA2C P18825 1/20 0.35
DDR1 Q08345 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MEP1B Q16820 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4012771 0.86 ADRA1D (0.39) ADRA1DADRA1AADRA1BADRA2AKDM4E
SCHEMBL1512139 0.84 ADRA1D (0.40) ADRA1DADRA1AADRA1BADRA2AKDM4E
SCHEMBL13180014 0.82 KDM4E (0.42) ADRA1DADRA1AADRA1BADRA2AKDM4E
SCHEMBL1151001 0.80 ADRA1D (0.40) ADRA1DADRA1AADRA1BADRA2AKDM4E
SCHEMBL1150461 0.80 CA2 (0.48) ADRA1DADRA1AADRA1BADRA2AKDM4E
SCHEMBL5124506 0.79 MAOA (0.39) ADRA1DADRA1AADRA1BADRA2AKDM4E
Hydrochloric Acid SCHEMBL1017408 0.77 MAOA (0.40) ADRA1DADRA1AADRA1BADRA2AKDM4E
SCHEMBL13243782 0.76 ADRA1D (0.37) ADRA1DADRA1AADRA1BADRA2AKDM4E
SCHEMBL6077312 0.76 ADRA1D (0.43) ADRA1DADRA1AADRA1BADRA2ACCR2
SCHEMBL1151151 0.75 CA12 (0.43) ADRA1DADRA1AADRA1BKDM4EDDR1

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
CN-101541751-A Quinoline compounds WYETH CORP (US) 2009-09-23 CN disclosed