SCHEMBL9488255

SCHEMBL9488255

COc1ccc(N2CCN(CC(Cc3ccc(N4C(=O)c5ccccc5C4=O)cc3)NS(=O)(=O)c3cccc4cnccc34)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 19/20 0.53
▸ ALDH1A1 P00352 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CAMK2D Q13557 1/20 0.45
▸ P2RX4 Q99571 1/20 0.45
▸ CAMK2A Q9UQM7 1/20 0.45

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
SCHEMBL9484196 0.89 P2RX7 (0.55) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9487406 0.89 P2RX7 (0.54) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9490279 0.86 P2RX7 (0.71) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL23374073 0.83 P2RX7 (0.73) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483836 0.82 P2RX7 (0.59) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9022883 0.81 P2RX7 (0.74) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2455466 0.81 P2RX7 (0.56) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9023068 0.79 P2RX7 (0.53) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9634957 0.78 P2RX7 (0.52) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9023601 0.78 P2RX7 (0.54) 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 1 patent. 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
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