SCHEMBL29005449

SCHEMBL29005449

COc1cccc(N(C(C)=O)c2cc([N+](=O)[O-])ccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 5/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAOB P27338 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
SLC2A1 P11166 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MAPK1 P28482 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
HPGD P15428 2/20 0.40
ELANE P08246 1/20 0.40
EGFR P00533 1/20 0.40
IGF1R P08069 1/20 0.40

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
SCHEMBL30285730 1.00 HTT (0.44) HTTTP53MAPTALDH1A1LMNA
SCHEMBL29005576 0.88 TP53 (0.42) HTTTP53MAPTALDH1A1LMNA
SCHEMBL29005420 0.85 SNCA (0.36) HTTTP53MAPTALDH1A1LMNA
SCHEMBL30285631 0.85 SNCA (0.36) HTTTP53MAPTALDH1A1LMNA
SCHEMBL30285745 0.85 TP53 (0.47) HTTTP53MAPTALDH1A1LMNA
SCHEMBL30285884 0.85 ALDH1A1 (0.46) HTTTP53MAPTALDH1A1LMNA
SCHEMBL29005482 0.85 ALDH1A1 (0.46) HTTTP53MAPTALDH1A1LMNA
SCHEMBL30285811 0.85 MEN1 (0.45) HTTTP53MAPTALDH1A1LMNA
SCHEMBL29005766 0.85 MEN1 (0.45) HTTTP53MAPTALDH1A1LMNA
SCHEMBL29005567 0.83 KMT2A (0.38) HTTTP53MAPTALDH1A1LMNA

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
CN-115996911-A Substituted N-phenylacetamides having P2X4 receptor antagonistic activity 拜耳公司 2023-04-21 CN disclosed