SCHEMBL14626601

SCHEMBL14626601

C[C@@H](CCl)NP(=O)(N[C@@H](C)CCl)OCc1ccc([N+](=O)[O-])s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.40
▸ HTT P42858 6/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ KMT2A Q03164 8/20 0.40
▸ MEN1 O00255 7/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ NR1D1 P20393 6/20 0.38
▸ NR1H3 Q13133 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL12598666 1.00 MAPT (0.40) MAPTHTTKDM4EL3MBTL1POLB
SCHEMBL12208101 0.96 MAPT (0.38) MAPTHTTKDM4EL3MBTL1POLB
SCHEMBL12208104 0.96 MAPT (0.38) MAPTHTTKDM4EL3MBTL1POLB
SCHEMBL14626545 0.88 MAPT (0.39) MAPTHTTKDM4EL3MBTL1POLB
SCHEMBL14626541 0.88 MAPT (0.39) MAPTHTTKDM4EL3MBTL1POLB
SCHEMBL12208112 0.87 MAPT (0.36) MAPTHTTKDM4EL3MBTL1POLB
SCHEMBL12208105 0.87 MAPT (0.36) MAPTHTTKDM4EL3MBTL1POLB
SCHEMBL12598669 0.82 CYP2A6 (0.35) MAPTHTTKDM4EL3MBTL1POLB
SCHEMBL12208117 0.80 CYP2A6 (0.33) MAPTHTTKDM4EL3MBTL1POLB
SCHEMBL12207933 0.79 KMT2A (0.42) MAPTHTTKDM4EL3MBTL1POLB

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-2336141-B1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS INC (US) 2016-03-30 — — EP disclosed
WO-2007002931-A2 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-04 — — WO disclosed
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