SCHEMBL31171014

SCHEMBL31171014

CC(=O)Nc1ccc([N+](=O)[O-])c(SCCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 3/20 0.54
HTT P42858 1/20 0.50
THRB P10828 1/20 0.48
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
PDE7A Q13946 1/20 0.42
MAPK1 P28482 1/20 0.42
GSTP1 P09211 1/20 0.42

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
SCHEMBL8444661 0.87 HTT (0.52) MAPTALDH1A1HTTTHRBPOLB
SCHEMBL8447846 0.86 GSTP1 (0.57) MAPTALDH1A1HTTTHRBPOLB
SCHEMBL8445210 0.84 HTT (0.55) MAPTALDH1A1HTTTHRBPOLB
SCHEMBL8444657 0.80 HTT (0.58) MAPTALDH1A1HTTTHRBPOLB
SCHEMBL2033657 0.78 HTT (0.53) MAPTALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL18261765 0.77 THRB (0.61) MAPTALDH1A1HTTTHRBPOLB
SCHEMBL8444659 0.75 HTT (0.53) MAPTALDH1A1HTTTHRBPOLB
SCHEMBL11526803 0.75 HTT (0.71) MAPTALDH1A1HTTPOLBL3MBTL1
SCHEMBL8941933 0.74 ALDH1A1 (0.67) MAPTALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL8447844 0.73 HTT (0.51) MAPTALDH1A1HTTTHRBPOLB

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
EP-4709425-A1 LINKER COMPOUNDS AND LIGAND-DRUG CONJUGATES, PREPARATION METHODS AND USES THEREOF Biocytogen Pharmaceuticals (Beijing) Co., Ltd. (CN) 2026-03-18 EP disclosed
WO-2024235105-A1 LINKER COMPOUNDS AND LIGAND-DRUG CONJUGATES, PREPARATION METHODS AND USES THEREOF BIOCYTOGEN PHARMACEUTICALS (BEIJING) CO., LTD. (CN) 2024-11-21 WO disclosed