SCHEMBL9272500

SCHEMBL9272500

COC(=O)CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 4/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PLA2G1B P04054 1/20 0.42
▸ ATG4B Q9Y4P1 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ G6PD P11413 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 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
SCHEMBL399328 0.74 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A
SCHEMBL31549875 0.74 TDP1 (0.70) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A
SCHEMBL40265 0.74 TDP1 (0.70) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A
SCHEMBL10533223 0.72 NR1D1 (0.51) ALDH1A1SMN1; SMN2MAPTL3MBTL1PLA2G1B
SCHEMBL1186362 0.71 TDP1 (0.52) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A
SCHEMBL4993348 0.71 PDGFRB (0.56) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A
SCHEMBL502816 0.70 NOS3 (0.50) ALDH1A1SMN1; SMN2MAPTKMT2AMAPK1
SCHEMBL28575301 0.70 ATM (0.41) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A
SCHEMBL29676432 0.70 ATM (0.41) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A
SCHEMBL15060376 0.69 MAPT (0.54) ALDH1A1SMN1; SMN2MAPTL3MBTL1KMT2A

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-5438035-A Herbicides AMERICAN CYANAMID COMPANY (US) 1995-08-01 — — US disclosed
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