SCHEMBL8476699

SCHEMBL8476699

CC(=NO)C(C)(C)NCCCCCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.41
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CA12 O43570 1/20 0.32
F13A1 P00488 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP1A2 P05177 1/20 0.32
CA3 P07451 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 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
SCHEMBL8476697 1.00 PAOX (0.41) PAOXMAOAMAOBCA12F13A1
SCHEMBL8476513 0.98 PAOX (0.38) PAOXCA12F13A1CA1CA2
SCHEMBL8476517 0.98 PAOX (0.38) PAOXCA12F13A1CA1CA2
SCHEMBL8362130 0.92 POLB (0.33) PAOXCA12F13A1CA1CA2
SCHEMBL8362134 0.92 POLB (0.33) PAOXCA12F13A1CA1CA2
SCHEMBL15135657 0.90 POLB (0.36) TSHRPOLBSMN1; SMN2
SCHEMBL15144439 0.90 POLB (0.36) TSHRPOLBSMN1; SMN2
Upenazime SCHEMBL1477985 0.88 POLB (0.37) TSHRPOLBSMN1; SMN2
SCHEMBL7128026 0.84 POLB (0.35) TSHRPOLBSMN1; SMN2
SCHEMBL8693335 0.84 POLB (0.37) TSHRPOLBSMN1; SMN2

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
US-5997843-A TECHNETIUM-99M AMERSHAM INTERNATIONAL PLC (GB) 1999-12-07 US disclosed
EP-0712315-A1 RADIOMETAL COMPLEXES THAT LOCALISE IN HYPOXIC TISSUE AMERSHAM INTERNATIONAL plc (GB) 1996-05-22 EP disclosed
WO-1995004552-A2 RADIOMETAL COMPLEXES THAT LOCALISE IN HYPOXIC TISSUE AMERSHAM INTERNATIONAL PLC (GB) 1995-02-16 WO disclosed