SCHEMBL19682609

SCHEMBL19682609

Bc1cncc(C(=O)N2CCOCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 6/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ PKM P14618 1/20 0.48
▸ PHGDH O43175 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ POLB P06746 3/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ NSD2 O96028 1/20 0.44
▸ NR4A1 P22736 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ AR P10275 1/20 0.44
▸ DNMT1 P26358 1/20 0.44
▸ PTPN7 P35236 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL3400117 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL12104580 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1558959 0.81 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL18307171 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9955042 0.79 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL15653185 0.79 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7354113 0.78 VNN1 (0.60) SMN1; SMN2ALDH1A1HPGDKDM4EPKM
SCHEMBL13322388 0.78 HSP90AA1 (0.52) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9970951 0.78 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL13741550 0.78 AR (0.53) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10

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
WO-2017209155-A1 SULFONAMIDE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-12-07 — — WO disclosed
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