SCHEMBL9484269

SCHEMBL9484269

COc1ccc(N2CCN(CC(Cc3ccc(O)cc3)N(C)S(=O)(=O)c3cccc4cnccc34)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 19/20 0.74
▸ ALDH1A1 P00352 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ CAMK2D Q13557 1/20 0.57
▸ P2RX4 Q99571 1/20 0.57
▸ CAMK2A Q9UQM7 1/20 0.57

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
SCHEMBL9483585 0.93 P2RX7 (0.85) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483675 0.92 P2RX7 (0.74) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483287 0.92 P2RX7 (0.88) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9485178 0.91 P2RX7 (0.79) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483983 0.91 P2RX7 (0.69) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9490279 0.89 P2RX7 (0.71) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484296 0.88 P2RX7 (0.75) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483335 0.88 P2RX7 (0.65) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484447 0.87 P2RX7 (0.66) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484365 0.87 P2RX7 (0.68) 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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