SCHEMBL10494798

SCHEMBL10494798

CCn1cc(CCN)c2cc(CS(N)(=O)=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.41
▸ HTR1D P28221 2/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ EGFR P00533 6/20 0.37
▸ IGF1R P08069 6/20 0.37
▸ FLT4 P35916 6/20 0.37
▸ KDR P35968 6/20 0.37
▸ PLA2G4A P47712 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR1B P28222 1/20 0.35

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
SCHEMBL9597127 0.85 HTR6 (0.35) HTR6HTR1DADRB2EGFRIGF1R
SCHEMBL5918471 0.84 ADRB2 (0.56) HTR6HTR1DADRB2CA9CA1
SCHEMBL10466866 0.84 PLA2G4A (0.44) HTR6EGFRIGF1RFLT4KDR
SCHEMBL10494723 0.84 PLA2G4A (0.55) HTR6EGFRIGF1RFLT4KDR
Hydrochloric Acid SCHEMBL7558473 0.83 ADRB2 (0.54) HTR6HTR1DADRB2EGFRIGF1R
SCHEMBL10494701 0.83 EGFR (0.48) HTR6EGFRIGF1RFLT4KDR
SCHEMBL10465300 0.83 EGFR (0.57) HTR6ADRB2EGFRIGF1RFLT4
SCHEMBL10465297 0.82 EGFR (0.53) HTR6ADRB2EGFRIGF1RFLT4
SCHEMBL10494794 0.81 HTR6 (0.42) HTR6HTR1DADRB2CA9CA1
SCHEMBL10464116 0.80 EGFR (0.58) HTR6ADRB2EGFRIGF1RFLT4

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
US-4816470-A Heterocyclic compounds GLAXO GROUP LIMITED 1989-03-28 — — US disclosed
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