SCHEMBL9687078

SCHEMBL9687078

CN1CCN(Cc2nc3cccnc3n2Cc2ccco2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.50
CHRM1 P11229 1/20 0.50
USP2 O75604 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.44
SLC6A9 P48067 1/20 0.44
TSHR P16473 5/20 0.42
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 3/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHKA P35790 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
GPR4 P46093 1/20 0.39
GRM2 Q14416 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 SCHEMBL9635803 0.91 CHRM5 (0.52) CHRM5CHRM1USP2MEN1KMT2A
SCHEMBL9684792 0.83 CHRM5 (0.49) CHRM5CHRM1USP2MEN1KMT2A
SCHEMBL9687009 0.83 CHRM5 (0.49) CHRM5CHRM1USP2MEN1KMT2A
SCHEMBL9634955 0.80 CHRM5 (0.57) CHRM5CHRM1USP2MEN1KMT2A
SCHEMBL9634927 0.78 CHRM5 (0.50) CHRM5CHRM1USP2MEN1KMT2A
SCHEMBL9686691 0.77 CHRM5 (0.49) CHRM5CHRM1USP2MEN1KMT2A
SCHEMBL9537181 0.77 SLC6A9 (0.49) USP2MEN1KMT2ALMNASLC6A9
SCHEMBL9537207 0.77 SLC6A9 (0.47) KMT2ALMNASLC6A9TSHRHPGD
SCHEMBL9686512 0.76 SLC6A9 (0.68) CHRM5CHRM1USP2MEN1KMT2A
Fumaric Acid SCHEMBL9636448 0.76 CHRM5 (0.52) CHRM5CHRM1USP2MEN1KMT2A

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