SCHEMBL7078673

SCHEMBL7078673

CCOP(=O)(OCC)C(=CNc1ncccn1)c1cc(OC)c(O)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
SLC22A12 Q96S37 1/20 0.35
PKM P14618 2/20 0.35
LMNA P02545 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
KMT2A Q03164 4/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
GAA P10253 3/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL6309125 1.00 GLA (0.39) GLASLC22A12PKMLMNACA12
SCHEMBL6309422 1.00 GLA (0.39) GLASLC22A12PKMLMNACA12
SCHEMBL7074181 0.94 GLA (0.37) GLASLC22A12LMNAKMT2AMAPT
SCHEMBL6314583 0.94 GLA (0.37) GLASLC22A12LMNAKMT2AMAPT
SCHEMBL6306416 0.94 GLA (0.37) GLASLC22A12LMNAKMT2AMAPT
SCHEMBL7078669 0.90 GLA (0.39) GLASLC22A12PKMLMNACA12
SCHEMBL6306954 0.84 CA12 (0.42) GLASLC22A12PKMLMNACA12
SCHEMBL6306969 0.84 CA12 (0.42) GLASLC22A12PKMLMNACA12
SCHEMBL7077622 0.84 SLC22A12 (0.38) GLASLC22A12PKMLMNACA12
SCHEMBL6313757 0.84 SLC22A12 (0.38) GLASLC22A12PKMLMNACA12

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-1320536-A1 $g(a)-SUBSTITUTED $g(b)-AMINOETHYL PHOSPHONATES Ilex Oncology Research S.A. (CH) 2003-06-25 EP disclosed
WO-2002026752-A1 α-SUBSTITUTED β-AMINOETHYL PHOSPHONATES ILEX ONCOLOGY RESEARCH S.A. (CH) 2002-04-04 WO disclosed