SCHEMBL9686855

SCHEMBL9686855

CCOCCn1c(CN2CCNC(C)C2)nc2cccnc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.59
RECQL P46063 1/20 0.40
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH1 P35367 4/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KCNH2 Q12809 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
Fumaric Acid SCHEMBL9634753 0.92 SLC6A9 (0.54) SLC6A9RECQLMEN1TSHRKMT2A
SCHEMBL9635855 0.87 SLC6A9 (0.64) SLC6A9MEN1TSHRKMT2AHSD17B10
SCHEMBL9686541 0.85 SLC6A9 (0.62) SLC6A9RECQLMEN1TSHRKMT2A
SCHEMBL10444904 0.83 SLC6A9 (0.67) SLC6A9MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL9687018 0.83 SLC6A9 (0.60) SLC6A9MEN1TSHRKMT2AHSD17B10
SCHEMBL9686512 0.82 SLC6A9 (0.68) SLC6A9MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL9685926 0.82 SLC6A9 (0.68) SLC6A9MEN1TSHRKMT2ALMNA
SCHEMBL9635008 0.80 SLC6A9 (0.55) SLC6A9MEN1TSHRKMT2AHRH1
SCHEMBL9635911 0.80 SLC6A9 (0.68) SLC6A9MEN1TSHRKMT2AHRH1
SCHEMBL9636330 0.80 SLC6A9 (0.68) SLC6A9MEN1TSHRKMT2AHRH1

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