SCHEMBL9565382

SCHEMBL9565382

CN(C)CCN(CCN(C)C)C(N)=S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.38
CA12 O43570 7/20 0.38
CA9 Q16790 7/20 0.38
CA4 P22748 3/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
MAPT P10636 2/20 0.36
CA1 P00915 7/20 0.34
ALDH1A1 P00352 5/20 0.33
HRH4 Q9H3N8 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 2/20 0.33
HRH2 P25021 1/20 0.33
TAS2R38 P59533 1/20 0.33
HSD17B10 Q99714 2/20 0.32
EHMT2 Q96KQ7 3/20 0.32

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
SCHEMBL3830009 0.84 ALDH1A1 (0.41) CA2CA12CA9MAPTCA1
SCHEMBL9565338 0.84 ALDH1A1 (0.48) CA2CA12CA9MAPTCA1
SCHEMBL8963611 0.79 CA12 (0.41) CA2CA12CA9CA4MAPT
SCHEMBL1898730 0.74 CA12 (0.57) CA2CA12CA9CA4MAPT
SCHEMBL8663660 0.73
SCHEMBL96554 0.73
SCHEMBL1401768 0.72 CA12 (0.38) CA2CA12CA9CA4CA3
SCHEMBL8491869 0.72 ALDH1A1 (0.47) CA2CA12CA9CA1ALDH1A1
SCHEMBL2115642 0.71
SCHEMBL9565381 0.71

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
EP-0531015-A2 Zincate type zinc-iron alloy electroplating bath YUKEN KOGYO KABUSHIKI KAISHA (JP) 1993-03-10 EP claimed
EP-0531015-A2 Zincate type zinc-iron alloy electroplating bath YUKEN KOGYO KABUSHIKI KAISHA (JP) 1993-03-10 EP disclosed