SCHEMBL9489271

SCHEMBL9489271

CN(C(Cc1ccc(O)cc1)CN1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.64
▸ HTR7 P34969 9/20 0.50
▸ HTR2A P28223 3/20 0.50
▸ HTR2C P28335 3/20 0.50
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CAMK2D Q13557 1/20 0.47
▸ P2RX4 Q99571 1/20 0.47
▸ CAMK2A Q9UQM7 1/20 0.47
▸ HTR1A P08908 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ HTR6 P50406 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9485178 0.90 P2RX7 (0.79) P2RX7MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9484296 0.87 P2RX7 (0.75) P2RX7MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9488051 0.87 P2RX7 (0.83) P2RX7MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9490535 0.85 P2RX7 (0.51) P2RX7HTR7MAPTALDH1A1SMN1; SMN2
SCHEMBL9484420 0.83 P2RX7 (0.83) P2RX7MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9483983 0.83 P2RX7 (0.69) P2RX7MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9484365 0.82 P2RX7 (0.68) P2RX7MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2458638 0.82 P2RX7 (0.68) P2RX7MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9484269 0.81 P2RX7 (0.74) P2RX7MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9484447 0.81 P2RX7 (0.66) P2RX7MAPTALDH1A1SMN1; SMN2LMNA

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 2 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-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 — — US disclosed
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