SCHEMBL6974957

SCHEMBL6974957

COC(CN1c2ccc(S(C)(=O)=O)cc2N(C)S1(=O)=O)OC

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
G6PD P11413 1/20 0.31
IDE P14735 1/20 0.31

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
SCHEMBL6980884 0.77 BRD4 (0.31)
SCHEMBL6982285 0.76 SMN1; SMN2 (0.33) SMN1; SMN2G6PDIDE
SCHEMBL7948146 0.67 PTGS2 (0.32)
SCHEMBL7948151 0.61 LMNA (0.36)
SCHEMBL7821251 0.57 ENPP2 (0.35) SMN1; SMN2G6PDIDE
SCHEMBL17378560 0.54 G6PD (0.36) SMN1; SMN2G6PDIDE
SCHEMBL15739728 0.54 ROCK1 (0.52)
SCHEMBL6829782 0.53 ENPP2 (0.46) SMN1; SMN2
SCHEMBL862980 0.53 POLB (0.73) SMN1; SMN2
SCHEMBL2376239 0.53 ENPP2 (0.72)

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