SCHEMBL10405231

SCHEMBL10405231

CC(=O)ONc1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
TYK2 P29597 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CXCL8 P10145 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL28225642 0.79 MEN1 (0.51) PDK1PDK2PDK3PDK4POLB
SCHEMBL28197116 0.78 CYP1A2 (0.46) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL7392785 0.78 ALDH1A1 (0.43) NLRP3POLBALDH1A1MAPTL3MBTL1
SCHEMBL28214814 0.76 KMT2A (0.50) TYK2POLBALDH1A1MAPTL3MBTL1
Acetic Acid SCHEMBL28825732 0.76 HTT (0.45) NLRP3ALDH1A1L3MBTL1LMNAKMT2A
Hydrochloric Acid SCHEMBL28177685 0.74 KMT2A (0.49) TYK2POLBALDH1A1MAPTL3MBTL1
SCHEMBL28049455 0.73 NPC1 (0.48) ALDH1A1MAPTL3MBTL1MEN1LMNA
SCHEMBL1272335 0.72 PDK1 (0.53) NLRP3PDK1PDK2PDK3PDK4
SCHEMBL7797988 0.72 HTT (0.48) ALDH1A1L3MBTL1MEN1LMNAKMT2A
1,2-Dichlorobenzene SCHEMBL27809655 0.72 TSHR (0.50) POLBALDH1A1L3MBTL1LMNAKMT2A

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
US-4960799-A STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed