SCHEMBL9483558

SCHEMBL9483558

CN(C(Cc1ccc(OCc2ccncc2)cc1)CN1CCN(c2ncccn2)CC1)S(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 19/20 0.68
▸ ALDH1A1 P00352 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ CAMK2D Q13557 1/20 0.51
▸ P2RX4 Q99571 1/20 0.51
▸ CAMK2A Q9UQM7 1/20 0.51

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
SCHEMBL9482967 0.92 P2RX7 (0.68) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484680 0.90 P2RX7 (0.84) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484447 0.90 P2RX7 (0.66) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484785 0.85 P2RX7 (0.67) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483585 0.83 P2RX7 (0.85) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484269 0.82 P2RX7 (0.74) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484156 0.82 P2RX7 (0.83) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9483316 0.81 P2RX7 (0.66) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9588593 0.81 P2RX7 (1.00) P2RX7ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9484420 0.81 P2RX7 (0.83) 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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