SCHEMBL9687118

SCHEMBL9687118

CCOCCn1c(CN2CCNCC2)nc2cnccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
SLC6A9 P48067 1/20 0.41
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM2 Q14416 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH1 P35367 1/20 0.39
PKM P14618 1/20 0.39

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 SCHEMBL9636370 0.92 SLC6A9 (0.38) MEN1KMT2AALDH1A1TSHRSLC6A9
SCHEMBL9636375 0.91 ALDH1A1 (0.44) MEN1KMT2AALDH1A1TSHRSLC6A9
SCHEMBL6151147 0.85 MEN1 (0.58) MEN1KMT2AALDH1A1TSHRUSP2
Fumaric Acid SCHEMBL9635000 0.83 ALDH1A1 (0.40) MEN1KMT2AALDH1A1TSHRSLC6A9
SCHEMBL6586477 0.82 MEN1 (0.54) MEN1KMT2AALDH1A1TSHRUSP2
SCHEMBL9634434 0.79 SLC6A9 (0.46) MEN1KMT2AALDH1A1TSHRSLC6A9
SCHEMBL9635855 0.78 SLC6A9 (0.64) MEN1KMT2AALDH1A1TSHRSLC6A9
Fumaric Acid SCHEMBL10499414 0.77 TSHR (0.51) MEN1KMT2AALDH1A1TSHRUSP2
Fumaric Acid SCHEMBL10499430 0.77 TSHR (0.51) MEN1KMT2AALDH1A1TSHRUSP2
SCHEMBL9635883 0.77 MEN1 (0.47) MEN1KMT2AALDH1A1TSHRSLC6A9

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-0307014-B1 ANTI-ALLERGIC 2-(HETEROCYCLYL ALKYL) IMIDAZO PYRIDINES AND 2-(HETEROCYCLYL ALKYL) PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-09 EP disclosed
EP-0307014-A1 Anti-allergic 2-(heterocyclyl alkyl) imidazo pyridines and 2-(heterocyclyl alkyl) purines JANSSEN PHARMACEUTICA N.V. (BE) 1989-03-15 EP disclosed