SCHEMBL9216980

SCHEMBL9216980

CN(CCO)CCNCCNCCN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 2/20 0.56
TDP1 Q9NUW8 3/20 0.47
CA12 O43570 5/20 0.46
CA6 P23280 5/20 0.46
CA7 P43166 5/20 0.46
CA9 Q16790 5/20 0.46
CA14 Q9ULX7 5/20 0.46
CA5B Q9Y2D0 5/20 0.46
CA2 P00918 4/20 0.46
CA4 P22748 4/20 0.46
CA5A P35218 4/20 0.46
CA3 P07451 3/20 0.46
ALOX15 P16050 3/20 0.46
LMNA P02545 2/20 0.46
CA1 P00915 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 3/20 0.42

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
SCHEMBL18071945 0.89 CYP2C19 (0.68) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL31034415 0.87 CYP2C19 (0.71) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL31034296 0.85 CYP2C19 (0.62) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL2125457 0.82 CYP2C19 (0.65) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL8940846 0.82 MAPT (0.39) CYP2C19CYP2C9TDP1MAPTPAOX
SCHEMBL6131299 0.81 CYP2C19 (0.58) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL5707199 0.81 CYP2C19 (0.58) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL13154380 0.81 TDP1 (0.54) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL31034384 0.80 CYP2C19 (0.62) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL28690468 0.80 CYP2C19 (0.62) CYP2C19CYP2C9TDP1CA12CA6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368423-B1 Removal and recovery of sulphur dioxide from gas streams UNION CARBIDE CANADA LTD (CA) 1995-03-01 EP disclosed
US-5019361-A Removal and recovery of sulphur dioxide from gas streams UNION CARBIDE CANADA LIMITED (US) 1991-05-28 US disclosed
EP-0368423-A2 Removal and recovery of sulphur dioxide from gas streams UNION CARBIDE CANADA LIMITED (CA) 1990-05-16 EP disclosed