SCHEMBL8771567

SCHEMBL8771567

CCOC(=O)C(C(=O)OCC)c1ncc([N+](=O)[O-])cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ MAPK1 P28482 2/20 0.46
▸ MAPT P10636 9/20 0.46
▸ POLB P06746 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ LMNA P02545 2/20 0.39

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
SCHEMBL16522671 0.92 KMT2A (0.47) KMT2AMEN1MAPK1MAPTPOLB
SCHEMBL3580938 0.84 MAPT (0.46) KMT2AMEN1MAPK1MAPTPOLB
SCHEMBL13728103 0.84 MAPT (0.46) KMT2AMEN1MAPK1MAPTPOLB
SCHEMBL23147201 0.83 MAPT (0.45) KMT2AMEN1MAPTPOLBGLA
SCHEMBL17512605 0.82 MAPK1 (0.53) KMT2AMEN1MAPK1MAPTTDP1
SCHEMBL20568542 0.81 ALDH1A1 (0.49) KMT2AMEN1MAPK1MAPTPOLB
SCHEMBL896209 0.80 MEN1 (0.56) KMT2AMEN1MAPK1MAPTPOLB
SCHEMBL16505140 0.80 ALDH1A1 (0.43) KMT2AMEN1MAPK1MAPTTDP1
SCHEMBL16505139 0.80 ALDH1A1 (0.43) KMT2AMEN1MAPK1MAPTTDP1
SCHEMBL8656095 0.79 ALDH1A1 (0.47) KMT2AMEN1MAPK1MAPTPOLB

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-0473267-B1 Acylaminopyridinecarboxamides, process for their preparation and their use as fungicides ZENECA LTD (GB) 1997-10-01 — — EP disclosed
US-5334722-A For plants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-02 — — US disclosed
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