SCHEMBL7948146

SCHEMBL7948146

CN1c2cc(S(C)(=O)=O)ccc2N(CC=O)S1(O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.32
ENPP2 Q13822 1/20 0.32
DRD2 P14416 3/20 0.31
HRH1 P35367 2/20 0.31
LMNA P02545 1/20 0.31
BRD4 O60885 1/20 0.31
DRD3 P35462 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL6980884 0.86 BRD4 (0.31) BRD4
SCHEMBL6527027 0.74 KCNH2 (0.34) BRD4SIGMAR1
SCHEMBL7948151 0.72 LMNA (0.36) ENPP2DRD2HRH1LMNABRD4
SCHEMBL7821251 0.68 ENPP2 (0.35) PTGS2ENPP2LMNABRD4
SCHEMBL6974957 0.67 SMN1; SMN2 (0.33)
SCHEMBL6527029 0.66 BRD4 (0.33) BRD4SIGMAR1
SCHEMBL6502022 0.63 MEN1 (0.41) LMNAMAPT
SCHEMBL31016286 0.62 NPBWR1 (0.38) PTGS2LMNABRD4
SCHEMBL28347309 0.60 LRRK2 (0.41) DRD2LMNADRD3ALDH1A1
SCHEMBL6637633 0.59 POLB (0.54) PTGS2ENPP2LMNAALDH1A1

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-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