SCHEMBL7674901

SCHEMBL7674901

CN(C)CCN(c1ccccc1NCCOc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ F2 P00734 5/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ BDKRB1 P46663 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 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
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
Hydrochloric Acid SCHEMBL7674892 0.99 KDM4E (0.44) KDM4ESMN1; SMN2MAPTALPGTDP1
SCHEMBL7671754 0.92 NPC1 (0.43) SMN1; SMN2MAPTF2DRD2DRD4
Hydrochloric Acid SCHEMBL7671744 0.91 NPC1 (0.43) SMN1; SMN2MAPTF2DRD2DRD4
SCHEMBL7672815 0.91 OXTR (0.42) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL7663066 0.91 PGR (0.41) KDM4ESMN1; SMN2MAPTALPGTDP1
Hydrochloric Acid SCHEMBL7663056 0.90 PGR (0.40) KDM4ESMN1; SMN2MAPTALPGTDP1
SCHEMBL7670754 0.88 SMN1; SMN2 (0.42) SMN1; SMN2MAPTF2DRD2DRD4
SCHEMBL7665766 0.88 ALDH1A1 (0.46) SMN1; SMN2MAPTKMT2A
Hydrochloric Acid SCHEMBL7670137 0.87 OXTR (0.41) SMN1; SMN2MAPTF2DRD2DRD4
SCHEMBL7660848 0.87 DRD4 (0.41) SMN1; SMN2MAPTDRD4KMT2ANPC1

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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