SCHEMBL9565391

SCHEMBL9565391

NCCCN(CCCN)C(N)=S

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
DHPS P49366 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ALDH2 P05091 1/20 0.31
CHRM2 P08172 1/20 0.31
CA12 O43570 3/20 0.30
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30
CA9 Q16790 3/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA7 P43166 2/20 0.30
CA14 Q9ULX7 2/20 0.30
CA5B Q9Y2D0 2/20 0.30

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
SCHEMBL9565381 0.82
SCHEMBL28483475 0.74 ALDH1A1 (0.54) ALDH1A1ALDH2CA12CA1CA2
SCHEMBL3830009 0.74 ALDH1A1 (0.41) CYP1A2ALDH1A1ALDH2CA12CA1
SCHEMBL9565338 0.74 ALDH1A1 (0.48) CYP1A2ALDH1A1ALDH2CA12CA1
SCHEMBL1101234 0.74 CA12 (0.58) ALDH1A1ALDH2CA12CA1CA2
SCHEMBL18628782 0.72 CYP1A2 (0.32) CYP1A2LMNATSHR
SCHEMBL9665534 0.72 CA12 (0.61) ALDH1A1ALDH2CA12CA1CA2
SCHEMBL28495992 0.72 ALDH1A1 (0.52) ALDH1A1ALDH2CA12CA1CA2
SCHEMBL635408 0.72 CA12 (0.61) ALDH1A1ALDH2CA12CA1CA2
SCHEMBL5695101 0.72 CA12 (0.61) ALDH1A1ALDH2CA12CA1CA2

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