SCHEMBL9686900

SCHEMBL9686900

CCOCCn1c(CN2CCN(CCNC(N)=S)CC2)nc2cccnc21

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.60
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 2/20 0.40
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL9535297 0.88 SLC6A9 (0.47) SLC6A9MEN1KMT2ATP53KDM4E
Oxalic Acid SCHEMBL9636381 0.86 SLC6A9 (0.57) SLC6A9MEN1KMT2ATP53CHRM5
Oxalic Acid SCHEMBL9636390 0.86 SLC6A9 (0.57) SLC6A9MEN1KMT2ATP53CHRM5
SCHEMBL9687126 0.85 SLC6A9 (0.60) SLC6A9MEN1KMT2ATP53CHRM5
SCHEMBL9635911 0.85 SLC6A9 (0.68) SLC6A9MEN1KMT2ACHRM5CHRM1
SCHEMBL9636330 0.85 SLC6A9 (0.68) SLC6A9MEN1KMT2ACHRM5CHRM1
Oxalic Acid SCHEMBL9634559 0.84 SLC6A9 (0.59) SLC6A9MEN1KMT2ATP53CHRM5
Oxalic Acid SCHEMBL9634553 0.84 SLC6A9 (0.59) SLC6A9MEN1KMT2ATP53CHRM5
SCHEMBL9636380 0.84 SLC6A9 (0.51) SLC6A9MEN1KMT2ATP53CHRM5
SCHEMBL9636222 0.84 SLC6A9 (0.55) SLC6A9MEN1KMT2ATP53CHRM5

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