SCHEMBL21711289

SCHEMBL21711289

CC(=O)c1ncn(C(=O)N(C)N)c1N

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6304343 0.87 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2
SCHEMBL21711302 0.87 LMNA (0.36) ALDH1A1LMNASMN1; SMN2
SCHEMBL21711299 0.85 ALDH1A1 (0.35) ALDH1A1LMNASMN1; SMN2
SCHEMBL21675343 0.83 ALDH1A1 (0.34) ALDH1A1LMNASMN1; SMN2
SCHEMBL22847418 0.83 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL13948981 0.80 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL13629004 0.79 SMN1; SMN2 (0.33) ALDH1A1LMNASMN1; SMN2
SCHEMBL14551769 0.75 ALDH1A1 (0.37) ALDH1A1LMNA
SCHEMBL24230401 0.74 RIPK1 (0.38) ALDH1A1LMNASMN1; SMN2
SCHEMBL13688644 0.71 ALDH1A1 (0.42) ALDH1A1LMNA

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-2020033880-A1 IMIDAZOTETRAZINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-02-13 WO disclosed