SCHEMBL2641830

SCHEMBL2641830

CN(C(=O)O)c1ccc(/C=C/c2ccc([N+](=O)[O-])nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 5/20 0.39
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
S1PR4 O95977 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TLR9 Q9NR96 1/20 0.39
PTGS2 P35354 3/20 0.37
OGA O60502 1/20 0.35
MITF O75030 2/20 0.35
HSD17B3 P37058 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL2641851 0.85 MAPT (0.55) BACE1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2641858 0.85 MAPT (0.55) BACE1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL12185886 0.83 PAX8 (0.39) BACE1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2641871 0.83 MAPT (0.39) BACE1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4551195 0.79 SMN1; SMN2 (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2641783 0.79 MAPT (0.43) ALDH1A1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL2641820 0.78 KCNH2 (0.50) MAPTSMN1; SMN2MEN1KMT2AHSD17B3
SCHEMBL2641829 0.78 APP (0.40) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2641905 0.78 NAPRT (0.40) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL2641914 0.78 APP (0.40) MAPTSMN1; SMN2MEN1KMT2AHSD17B3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO claimed
WO-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed