SCHEMBL9565338

SCHEMBL9565338

CN(C)CCCCN(CCCCN(C)C)C(N)=S

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.43
DNM1 Q05193 3/20 0.40
HRH4 Q9H3N8 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 1/20 0.40
HRH2 P25021 1/20 0.40
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
SIGMAR1 Q99720 1/20 0.34
MAPT P10636 1/20 0.33
MGLL Q99685 1/20 0.33
ALDH2 P05091 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
SCHEMBL3830009 0.95 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10DNM1HRH4
SCHEMBL9565382 0.84 CA2 (0.38) ALDH1A1TSHRHSD17B10HRH4TDP1
SCHEMBL8963611 0.84 CA12 (0.41) ALDH1A1TSHRHSD17B10DNM1HRH4
SCHEMBL1101234 0.80 CA12 (0.58) ALDH1A1TSHRDNM1CA12CA1
SCHEMBL9665534 0.78 CA12 (0.61) ALDH1A1TSHRHSD17B10DNM1CA12
SCHEMBL635408 0.78 CA12 (0.61) ALDH1A1TSHRHSD17B10DNM1CA12
SCHEMBL5695010 0.78 CA12 (0.61) ALDH1A1TSHRHSD17B10DNM1CA12
SCHEMBL5695101 0.78 CA12 (0.61) ALDH1A1TSHRHSD17B10DNM1CA12
SCHEMBL17956778 0.78 CA12 (0.61) ALDH1A1TSHRHSD17B10DNM1CA12
SCHEMBL11387308 0.78 CA12 (0.61) ALDH1A1TSHRHSD17B10DNM1CA12

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