SCHEMBL9022883

SCHEMBL9022883

O=S(=O)(NC(Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)CN1CCN(c2ccc(F)cc2)CC1)c1cccc2cnccc12

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 19/20 0.74
▸ ALDH1A1 P00352 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ CAMK2D Q13557 1/20 0.54
▸ P2RX4 Q99571 1/20 0.54
▸ CAMK2A Q9UQM7 1/20 0.54

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
SCHEMBL23374073 0.93 P2RX7 (0.73) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483302 0.89 P2RX7 (0.62) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483529 0.84 P2RX7 (0.58) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484196 0.84 P2RX7 (0.55) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9487406 0.84 P2RX7 (0.54) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483836 0.83 P2RX7 (0.59) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9589761 0.83 P2RX7 (0.55) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483410 0.82 P2RX7 (0.79) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2455466 0.82 P2RX7 (0.56) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9488255 0.81 P2RX7 (0.53) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513691-B1 Anti-ulcer agent HIDAKA HIROYOSHI (JP) 1996-07-31 — — EP disclosed
US-5244895-A 5-Isoquinolinesulfonamides with N substituents containing benzyl and heterocyclic groups Hidaka, Hiroyoshi (JP) 1993-09-14 — — US disclosed
EP-0513691-A1 Anti-ulcer agent Hidaka, Hiroyoshi (JP) 1992-11-19 — — EP disclosed
Send feedback