SCHEMBL23796262

SCHEMBL23796262

CC(NC(=O)O)c1nn[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.47
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
PIN1 Q13526 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR2 O15552 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2781606 0.77 NAALAD2 (0.48) NAALAD2GRNSORT1ALDH1A1RECQL
SCHEMBL31326721 0.75 NAALAD2 (0.44) NAALAD2GRNSORT1ALDH1A1RECQL
SCHEMBL4447522 0.72 TP53 (0.60)
SCHEMBL22718220 0.69 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL22718218 0.69 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL23646039 0.69 NAALAD2 (0.40) NAALAD2GRNSORT1ALDH1A1RECQL
SCHEMBL10077139 0.65
SCHEMBL9963345 0.65 CYP1A2 (0.36) NAALAD2ALDH1A1CYP1A2L3MBTL1
SCHEMBL20652615 0.64 NAALAD2 (0.39) NAALAD2GRNSORT1ALDH1A1RECQL
SCHEMBL20652620 0.63 NAALAD2 (0.38) NAALAD2GRNSORT1CA12CA1

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-3877356-A1 BICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2021-09-15 EP disclosed