SCHEMBL13201649

SCHEMBL13201649

COC[C@H]1CN(Cc2n[nH]c3c(N)ncnc23)CC1OC

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MTAP Q13126 16/20 0.43

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
SCHEMBL4736664 0.77 MTAP (0.55) MTAP
SCHEMBL4751241 0.77 MTAP (0.55) MTAP
SCHEMBL12715892 0.69 MTAP (0.74) MTAP
SCHEMBL13813963 0.68 MTAP (0.41) MTAP
SCHEMBL24063145 0.66 MTAP (0.63) MTAP
SCHEMBL21539447 0.65 MTAP (0.39) MTAP
SCHEMBL24063155 0.65 MTAP (0.79) MTAP
SCHEMBL13201650 0.64 GBA1 (0.46)
SCHEMBL4752489 0.61 MTAP (0.50) MTAP
SCHEMBL9974787 0.61 MTAP (1.00) MTAP

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
US-7777025-B2 Transition state analog inhibitors of ricin A-chain ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-08-17 US disclosed