SCHEMBL7012012

SCHEMBL7012012

CC(OCOCc1cc(N2CCOCC2)cc(N(Cc2cccc([N+](=O)[O-])c2)C(=O)OC(C)(C)C)n1)[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.35
SLC6A5 Q9Y345 3/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
MET P08581 4/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 2/20 0.33
MITF O75030 1/20 0.33
PAX8 Q06710 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
SCHEMBL7018651 0.89 AOC3 (0.35)
SCHEMBL7012017 0.88 SLC6A9 (0.35) SLC6A9SLC6A5JAK2JAK3PTK2
SCHEMBL7012999 0.82 JAK3 (0.35) JAK2JAK3MET
SCHEMBL7012014 0.78 SLC6A9 (0.37) SLC6A9SLC6A5JAK2JAK3PTK2
SCHEMBL7018655 0.77 AOC3 (0.36) KMT2A
SCHEMBL7020493 0.71 KCNH2 (0.41) KMT2AMAPTKCNH2ALDH1A1
SCHEMBL7012953 0.71 AOC3 (0.36)
SCHEMBL7013004 0.71 AKT1 (0.36) JAK2JAK3METNPC1MAPT
SCHEMBL503809 0.70 AOC3 (0.35) MAPTALDH1A1RAB9A
SCHEMBL7016255 0.70 ALDH1A1 (0.34) SLC6A9SLC6A5MAPTALDH1A1

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-0889034-B1 AMINOPYRIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-09-17 EP disclosed
US-6011039-A USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-01-04 US disclosed
EP-0889034-A1 AMINOPYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-01-07 EP disclosed