SCHEMBL7555892

SCHEMBL7555892

NCCCCNCCCNC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
CA12 O43570 3/20 0.54
CA2 P00918 3/20 0.54
CA4 P22748 3/20 0.54
CA6 P23280 3/20 0.54
CA5A P35218 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
CA5B Q9Y2D0 3/20 0.54
F13A1 P00488 2/20 0.54
CYP1A2 P05177 2/20 0.54
ALOX15 P16050 2/20 0.54
THPO P40225 2/20 0.54
CA3 P07451 2/20 0.54
CA1 P00915 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL727924 0.96 CA12 (0.56) MAOAMAOBCA12CA2CA4
SCHEMBL1332569 0.91
SCHEMBL6272996 0.89 PAOX (0.64) MAOAMAOBCA12CA2CA4
SCHEMBL627424 0.89 PAOX (0.64) MAOAMAOBCA12CA2CA4
SCHEMBL1078114 0.89 PAOX (0.64) MAOAMAOBCA12CA2CA4
SCHEMBL6276798 0.89 PAOX (0.64) MAOAMAOBCA12CA2CA4
SCHEMBL627474 0.89 PAOX (0.64) MAOAMAOBCA12CA2CA4
SCHEMBL6278204 0.89 PAOX (0.64) MAOAMAOBCA12CA2CA4
SCHEMBL22197867 0.89 PAOX (0.64) MAOAMAOBCA12CA2CA4
SCHEMBL20031214 0.89 CA3 (0.48) MAOAMAOBCA12CA2CA4

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-2002051446-A2 TRANSFECTION COMPLEXES (TRANSOPLEX) HAVING A REDUCED TOXICITY PHARMASOL GMBH (DE) 2002-07-04 WO claimed