SCHEMBL21482272

SCHEMBL21482272

CNCCNCc1cccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 18/20 0.61
PIK3CA P42336 1/20 0.53
HTT P42858 1/20 0.50

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
SCHEMBL21482290 0.92 PIK3CA (0.58) CARM1PIK3CA
SCHEMBL21486201 0.89 PIK3CA (0.55) CARM1PIK3CA
SCHEMBL21482287 0.87 CARM1 (0.75) CARM1
SCHEMBL21462150 0.86 PIK3CB (0.67) PIK3CA
SCHEMBL21482273 0.85 CARM1 (0.61) CARM1PIK3CA
SCHEMBL21482282 0.84 PIK3CA (0.57) CARM1PIK3CA
SCHEMBL21482280 0.83 CARM1 (0.62) CARM1PIK3CA
SCHEMBL21482265 0.82 PIK3CA (0.60) CARM1PIK3CA
SCHEMBL21465840 0.77 CARM1 (1.00) CARM1
SCHEMBL12525667 0.73 AOC3 (0.59)

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-2019196720-A1 ARGININE METHYLTRANSFERASE INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 中国科学院上海药物研究所 2019-10-17 WO disclosed