SCHEMBL6982285

SCHEMBL6982285

COC(CN1c2ccc(S(C)(=O)=O)cc2NS1(=O)=O)OC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
G6PD P11413 1/20 0.30
IDE P14735 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
SCHEMBL6974957 0.76 SMN1; SMN2 (0.33) SMN1; SMN2G6PDIDE
SCHEMBL6975709 0.62 PNMT (0.38)
SCHEMBL6490566 0.60 PNMT (0.38)
SCHEMBL24316839 0.56 PNMT (0.39) SMN1; SMN2
SCHEMBL6980884 0.55 BRD4 (0.31)
SCHEMBL6829782 0.53 ENPP2 (0.46) SMN1; SMN2
SCHEMBL862980 0.53 POLB (0.73) SMN1; SMN2
SCHEMBL2376239 0.53 ENPP2 (0.72)
SCHEMBL12508320 0.52 AKR1C3 (0.58) SMN1; SMN2G6PDIDE
SCHEMBL5893648 0.52 CA12 (0.69)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131321-B1 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS LILLY CO ELI (GB) 2003-09-10 EP disclosed
US-6329366-B1 HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST ELI LILLY AND COMPANY LIMITED (GB) 2001-12-11 US disclosed