SCHEMBL22282242

SCHEMBL22282242

C=C(S)OC(=O)NCCN(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.40
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LGALS1 P09382 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ PRMT3 O60678 1/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ PRMT8 Q9NR22 1/20 0.33

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
SCHEMBL22281700 0.85 DNM1 (0.40) DNM1CA1CA2CA12CA9
SCHEMBL10243682 0.77 EPHX1 (0.48) DNM1CA1CA2CA12CA9
SCHEMBL22605262 0.74 DNM1 (0.41) DNM1CA1CA2CA12CA9
SCHEMBL28704173 0.73 ALDH1A1 (0.41) DNM1CA1CA2CA12CA9
SCHEMBL2335068 0.72 ALDH1A1 (0.46) DNM1CA1CA2CA12CA9
SCHEMBL22699558 0.72 DNM1 (0.42) DNM1CA1CA2CA12CA9
SCHEMBL13525915 0.71 ALDH1A1 (0.41) DNM1CA1CA2CA12CA9
SCHEMBL20123376 0.71 DNM1 (0.41) DNM1CA1CA2CA12CA9
SCHEMBL1979026 0.71 TDP1 (0.55) DNM1CA1CA2CA12CA9
SCHEMBL426171 0.70 — —

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-2020154447-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2020-07-30 — — WO disclosed
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