SCHEMBL19917852

SCHEMBL19917852

NC1CN1Sc1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
PKM P14618 1/20 0.54
PDE7A Q13946 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4A O75164 1/20 0.43
TDP2 O95551 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CRBN Q96SW2 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
LDHA P00338 1/20 0.39

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
SCHEMBL5350233 0.76 MAPT (0.49) MAPTPKMPDE7ASMN1; SMN2CA12
SCHEMBL4697724 0.76 MAPT (0.43) MAPTPKMPDE7ASMN1; SMN2CA12
SCHEMBL18814405 0.75 MAPT (0.45) MAPTPKMPDE7ASMN1; SMN2CA12
SCHEMBL4697192 0.74 GAA (0.46) MAPTPKMPDE7ASMN1; SMN2CA12
SCHEMBL18581317 0.73 MAPT (0.74) MAPTPKMPDE7ASMN1; SMN2CA12
SCHEMBL4697170 0.73 MAPT (0.43) MAPTPKMPDE7ASMN1; SMN2CA12
SCHEMBL2905551 0.73 SMN1; SMN2 (0.51) MAPTPKMSMN1; SMN2MEN1KMT2A
SCHEMBL11336172 0.73 SMN1; SMN2 (0.51) MAPTPKMSMN1; SMN2MEN1KMT2A
SCHEMBL9737225 0.73 MAPT (0.49) MAPTPKMPDE7ASMN1; SMN2CA12
SCHEMBL29444867 0.73 MAPT (0.55) MAPTPKMPDE7ASMN1; SMN2CA12

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-2018039062-A1 1,4-OXAZINES USEFUL AS SELECTIVE BACE1 INHIBITORS ELI LILLY AND COMPANY (US) 2018-03-01 WO disclosed