SCHEMBL5140262

SCHEMBL5140262

Cn1cc(C(=O)O)nc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 2/20 0.37
MITF O75030 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5140534 0.78 MITF (0.49) L3MBTL1MITFALDH1A1PTGS1PTGS2
SCHEMBL5353581 0.73 MITF (0.46) MITFALDH1A1LMNAKDM4E
SCHEMBL21291552 0.72 GAA (0.37) L3MBTL1MITFALDH1A1CYP2C19LMNA
SCHEMBL21362773 0.71 PTGS1 (0.39) L3MBTL1TDP1PTGS1PTGS2RXFP1
SCHEMBL7489316 0.71 RXFP1 (0.42) L3MBTL1TDP1ALDH1A1PTGS1PTGS2
SCHEMBL1051401 0.69 PTGER1 (0.39) L3MBTL1TDP1ALDH1A1PTGS1PTGS2
SCHEMBL375420 0.69 RXFP1 (0.45) L3MBTL1TDP1ALDH1A1PTGS1PTGS2
SCHEMBL18776163 0.69 PTGS1 (0.38) L3MBTL1TDP1PTGS1PTGS2RXFP1
Hydrochloric Acid SCHEMBL31555571 0.69 RXFP1 (0.41) L3MBTL1TDP1ALDH1A1PTGS1PTGS2
SCHEMBL1559275 0.69 L3MBTL1 (0.63) L3MBTL1MITFALDH1A1CYP2C19LMNA

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-1896040-A2 PHOSPHORAMIDATE ALKYLATOR PRODRUGS Threshold Pharmaceuticals, Inc. (US) 2008-03-12 EP disclosed
WO-2007002931-A2 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-04 WO disclosed