SCHEMBL29487353

SCHEMBL29487353

COC(=O)C(=[N+]=[N-])c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.43
HPGD P15428 3/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
F2 P00734 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL13734754 1.00 POLB (0.46) POLBCES2CES1ALDH1A1KMT2A
SCHEMBL28319862 0.83 NPC1 (0.44) POLBALDH1A1KMT2ATSHRHPGD
SCHEMBL29556906 0.82 CES2 (0.44) POLBCES2CES1ALDH1A1KMT2A
SCHEMBL14639033 0.81 LMNA (0.50) POLBALDH1A1KMT2ATSHRL3MBTL1
SCHEMBL27981110 0.80 CTSD (0.51) POLBKMT2ATSHRHPGDRAB9A
SCHEMBL27874622 0.80 KMT2A (0.42) ALDH1A1KMT2AHPGDRAB9ASMN1; SMN2
SCHEMBL27152360 0.80 PKM (0.48) CES2CES1ALDH1A1KMT2AHPGD
SCHEMBL27874678 0.80 ALDH1A1 (0.38) ALDH1A1KMT2ATSHRHPGDSMN1; SMN2
SCHEMBL4346405 0.78 PLK1 (0.50) POLBALDH1A1KMT2ATSHRHPGD
SCHEMBL5318618 0.77 CES2 (0.65) POLBCES2CES1ALDH1A1KMT2A

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
CN-122006718-A 4-Ethyl guaiacol derivative and preparation method thereof 中国人民解放军陆军军医大学第二附属医院 2026-05-12 CN disclosed
CN-110423198-B Acid catalysis synthesis method and application of phenoxyl acetate derivative 南京师范大学 2022-03-25 CN disclosed