SCHEMBL9483367

SCHEMBL9483367

O=C(Nc1ccccc1)N1CCN(CC(Cc2ccc(O)cc2)NS(=O)(=O)c2cccc3cnccc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 16/20 0.51
▸ PKLR P30613 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CAMK2D Q13557 1/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ CAMK2A Q9UQM7 1/20 0.41
▸ FAAH O00519 1/20 0.41

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
SCHEMBL9483439 0.90 P2RX7 (0.53) P2RX7PKLRALDH1A1SMN1; SMN2LMNA
SCHEMBL9484726 0.87 P2RX7 (0.52) P2RX7PKLRALDH1A1SMN1; SMN2LMNA
SCHEMBL2455466 0.86 P2RX7 (0.56) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483261 0.84 P2RX7 (0.54) P2RX7PKLRALDH1A1SMN1; SMN2LMNA
SCHEMBL9483417 0.84 P2RX7 (0.58) P2RX7
SCHEMBL9484569 0.84 P2RX7 (0.55) P2RX7PKLR
SCHEMBL9483398 0.84 P2RX7 (0.49) P2RX7
SCHEMBL9023601 0.83 P2RX7 (0.54) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9023068 0.80 P2RX7 (0.53) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483491 0.79 P2RX7 (0.62) 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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