SCHEMBL7667872

SCHEMBL7667872

Cc1ccc(S(=O)(=O)N(CCOCCN)c2ccccc2NCCOc2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PTGER1 P34995 2/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL7671944 0.95 NR3C1 (0.37) SMN1; SMN2DRD2DRD4DRD3MAPT
SCHEMBL7667975 0.93 ALDH1A1 (0.43) SMN1; SMN2PTGER1MAPTTP53ALDH1A1
SCHEMBL7838035 0.93 DRD2 (0.38) SMN1; SMN2DRD2DRD4DRD3MAPT
SCHEMBL7671654 0.93 DRD2 (0.38) SMN1; SMN2DRD2DRD4DRD3ALDH1A1
SCHEMBL7667997 0.93 SMN1; SMN2 (0.39) SMN1; SMN2DRD2DRD4DRD3MAPT
SCHEMBL7660651 0.91 DRD2 (0.39) DRD2DRD4DRD3MAPTF2
SCHEMBL7663075 0.91 DRD4 (0.39) SMN1; SMN2DRD2DRD4DRD3MAPT
SCHEMBL7663132 0.91 NR3C1 (0.34) SMN1; SMN2DRD2DRD4DRD3MAPT
SCHEMBL7671411 0.91 DRD2 (0.39) DRD2DRD4DRD3MAPTF2
Cadaverine Tartrate SCHEMBL7673468 0.89 KEAP1 (0.38) SMN1; SMN2MAPTTP53NPC1KMT2A

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-6403607-B1 ANTIULCER Hidaka, Hiroyoshi (JP) 2002-06-11 — — US disclosed
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