SCHEMBL19687720

SCHEMBL19687720

COCCc1cc2c(N3CCC4(CCN(C(=O)OC(C)(C)C)C4)C3)ncnc2s1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 15/20 0.48
KMT2A Q03164 6/20 0.48
SCD5 Q86SK9 1/20 0.42
P2RY12 Q9H244 4/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL19687655 0.95 MEN1 (0.43) MEN1KMT2ASCD5P2RY12
SCHEMBL19687721 0.93 MEN1 (0.46) MEN1KMT2AP2RY12
SCHEMBL19850562 0.89 MEN1 (0.53) MEN1KMT2ASCD5P2RY12CYP11B2
SCHEMBL19838148 0.87 MEN1 (0.55) MEN1KMT2ASCD5P2RY12CYP11B2
SCHEMBL19032310 0.87 MEN1 (0.62) MEN1KMT2AP2RY12
SCHEMBL21160537 0.87 MEN1 (0.62) MEN1KMT2AP2RY12
SCHEMBL19979031 0.87 MEN1 (0.62) MEN1KMT2AP2RY12
SCHEMBL19687656 0.87 MEN1 (0.48) MEN1KMT2ASCD5P2RY12CYP11B2
SCHEMBL19687735 0.85 P2RY12 (0.53) MEN1KMT2AP2RY12
SCHEMBL19687734 0.84 P2RY12 (0.56) MEN1KMT2AP2RY12

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
WO-2017205972-A1 SYSTEMS METHODS AND COMPOSITIONS FOR PREDICTING METASTASIS IN BLADDER CANCER GENOMEDX BIOSCIENCES, INC. (CA) 2017-12-07 WO disclosed