SCHEMBL9687018

SCHEMBL9687018

CCOCCn1c(CN2CCCNCC2)nc2cccnc21

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.60
HIF1A Q16665 2/20 0.47
PKM P14618 1/20 0.42
CXCR4 P61073 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9635855 0.96 SLC6A9 (0.64) SLC6A9HIF1APKMMEN1KMT2A
SCHEMBL10444904 0.91 SLC6A9 (0.67) SLC6A9PKMMEN1KMT2ATSHR
Fumaric Acid SCHEMBL9634770 0.88 SLC6A9 (0.58) SLC6A9HIF1AMEN1KMT2ATSHR
SCHEMBL9635008 0.87 SLC6A9 (0.55) SLC6A9MEN1KMT2ATSHRALDH1A1
SCHEMBL9685783 0.86 SLC6A9 (0.64) SLC6A9HIF1APKMMEN1KMT2A
SCHEMBL9687058 0.86 SLC6A9 (0.57) SLC6A9MEN1KMT2ATSHRALDH1A1
SCHEMBL9685926 0.85 SLC6A9 (0.68) SLC6A9PKMMEN1KMT2ATSHR
SCHEMBL9686512 0.85 SLC6A9 (0.68) SLC6A9HIF1APKMMEN1KMT2A
SCHEMBL9634663 0.85 SLC6A9 (0.56) SLC6A9MEN1KMT2ATSHRALDH1A1
SCHEMBL6586477 0.85 MEN1 (0.54) MEN1KMT2ATSHRALDH1A1

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
EP-0307014-B1 ANTI-ALLERGIC 2-(HETEROCYCLYL ALKYL) IMIDAZO PYRIDINES AND 2-(HETEROCYCLYL ALKYL) PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-09 EP disclosed