SCHEMBL9484393

SCHEMBL9484393

O=S(=O)(NC(Cc1ccc(O)c(O)c1)CN1CCN(c2ccccc2)CC1)c1cccc2cnccc12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 17/20 0.52
▸ ROCK2 O75116 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CAMK2D Q13557 1/20 0.46
▸ P2RX4 Q99571 1/20 0.46
▸ CAMK2A Q9UQM7 1/20 0.46

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
SCHEMBL2455466 0.91 P2RX7 (0.56) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9023601 0.88 P2RX7 (0.54) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483717 0.85 P2RX7 (0.51) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL23374073 0.85 P2RX7 (0.73) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483836 0.84 P2RX7 (0.59) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484196 0.82 P2RX7 (0.55) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483398 0.82 P2RX7 (0.49) P2RX7
SCHEMBL9484569 0.79 P2RX7 (0.55) P2RX7
SCHEMBL9487406 0.79 P2RX7 (0.54) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9022883 0.78 P2RX7 (0.74) 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
US-5245034-A Compound having vessel smooth muscle relaxation activity Hidaka, Kiroyoshi (JP) 1993-09-14 — — US disclosed
US-5216150-A Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor Hidaka, Hiroyoshi (JP) 1993-06-01 — — US disclosed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 — — US disclosed
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