SCHEMBL6202437

SCHEMBL6202437

NCCc1ccc(CN2CCOCC2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MAPT P10636 3/20 0.56
KCNJ1 P48048 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
NCF1 P14598 1/20 0.48
CTSB P07858 1/20 0.47
POLB P06746 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
MCL1 Q07820 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHEK1 O14757 1/20 0.44

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
SCHEMBL5238095 0.91 ALDH1A1 (0.57) ALDH1A1MAPTKCNJ1SMN1; SMN2LMNA
SCHEMBL6704152 0.88 L3MBTL1 (0.53) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL546450 0.84 ALDH1A1 (0.64) ALDH1A1MAPTKCNJ1SMN1; SMN2LMNA
SCHEMBL30061320 0.84 ALDH1A1 (0.64) ALDH1A1MAPTKCNJ1SMN1; SMN2LMNA
SCHEMBL21600747 0.83 ALDH1A1 (0.63) ALDH1A1MAPTKCNJ1SMN1; SMN2LMNA
SCHEMBL6609562 0.80 ALDH1A1 (0.59) ALDH1A1MAPTKCNJ1SMN1; SMN2LMNA
SCHEMBL29710198 0.80 ALDH1A1 (0.59) ALDH1A1MAPTKCNJ1SMN1; SMN2LMNA
SCHEMBL27087824 0.80 ALDH1A1 (0.68) ALDH1A1MAPTKCNJ1SMN1; SMN2LMNA
SCHEMBL27985029 0.80 CTSB (0.60) ALDH1A1MAPTKCNJ1SMN1; SMN2LMNA
SCHEMBL16054038 0.80 ALDH1A1 (0.59) ALDH1A1MAPTKCNJ1SMN1; SMN2LMNA

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-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 EP disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO disclosed