SCHEMBL7258192

SCHEMBL7258192

NNc1cccc2c1CCCC2S(N)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ADRA1A P35348 2/20 0.41
CA12 O43570 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL7258104 0.80 ADRA2A (0.46) ADRA2ACA1CA2ADRA1A
SCHEMBL7258063 0.77 CA1 (0.37) CA1CA2CA12CA6CA5A
SCHEMBL20810855 0.75 ADRA2A (0.43) ADRA2ACA1CA2ADRA1A
SCHEMBL7263508 0.73 SIRT1 (0.44) ADRA2A
SCHEMBL29617530 0.71 IDO1 (0.50) CA1CA2
SCHEMBL1878272 0.71 IDO1 (0.50) CA1CA2
SCHEMBL7257934 0.69 CA1 (0.41) CA1CA2CA12CA6CA5A
SCHEMBL7262392 0.69 HTR6 (0.48) CA1CA2CA12CA6CA5A
SCHEMBL20268728 0.68 POLL (0.36) ADRA1A
SCHEMBL7258110 0.67 ALDH1A1 (0.49) ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614898-B1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2003-05-07 EP disclosed
US-6291470-B1 DELTA-OPIOID ANTAGONIST HAVING HIGH SELECTIVITY AND ACTIVITY, THAT EXHIBITS IMMUNOSUPPRESSIVE ACTION, ANTIALLERGIC ACTION, ANTI-INFLAMMATORY ACTION AND BRAIN CELL-PROTECTING ACTION TORAY INDUSTRIES, INC. (JP) 2001-09-18 US disclosed
US-6087369-A AN IMMUNOSUPPRESSIVE AGENT, ANTIALLERGIC AGENT, ANTI-INFLAMMATORY AGENT AND BRAIN CELL-PROTECTING AGENT TORAY INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
US-5852030-A Indole derivatives, process for producing the same and medicinal uses of the same TORAY INDUSTRIES, INC. (JP) 1998-12-22 US disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 EP disclosed