SCHEMBL12496576

SCHEMBL12496576

COCc1c(S(N)(=O)=O)n(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 11/20 0.43
▸ SRC P12931 1/20 0.40
▸ AVPR1A P37288 1/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ MTNR1B P49286 1/20 0.38
▸ CXCL8 P10145 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 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
SCHEMBL12496638 0.87 HTR6 (0.44) HTR6MEN1KMT2AAGTR1MTNR1B
SCHEMBL12496909 0.78 CNR1 (0.55) HTR6CA12CA2CA9CA1
Lithium Ion SCHEMBL12496693 0.77 AGTR1 (0.41) HTR6MEN1KMT2AAGTR1MTNR1B
SCHEMBL12496970 0.76 HTR6 (0.42) HTR6CA12CA2CA9CA1
SCHEMBL2113671 0.74 AGTR1 (0.45) HTR6SRCMEN1KMT2AAGTR1
SCHEMBL12496855 0.71 CNR1 (0.45) HTR6MTNR1BPSEN1PSEN2APH1B
SCHEMBL12496692 0.70 HTR6 (0.40) HTR6CA12CA2CA9CA1
SCHEMBL12093313 0.70 HTR6 (0.70) HTR6SRCMEN1KMT2ACXCL8
SCHEMBL12497074 0.69 HTR6 (0.48) HTR6CA12CA2CA9CA1
SCHEMBL12496512 0.67 AGTR1 (0.47) HTR6SRCAVPR1AAGTR1CXCL8

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-2012117216-A1 N- (ARYLALKYL) - 1H- INDOLE- 2 - SULFONIC ACID AMIDE COMPOUNDS AND THEIR THERAPEUTIC USE AS CANNABINOID ALLOSTERIC MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2012-09-07 — — WO disclosed
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