SCHEMBL5961346

SCHEMBL5961346

CN(C)c1[c]cnc(Cc2ccc(NC(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
ALOX12 P18054 1/20 0.41
CXCR4 P61073 2/20 0.40
HTT P42858 1/20 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
SCHEMBL27873444 0.87 POLB (0.49) ALDH1A1NPC1RAB9AMAPT
SCHEMBL5961340 0.86 MEN1 (0.52) L3MBTL1MEN1KMT2AMAPTLMNA
SCHEMBL1010372 0.79 PTGDR2 (0.41) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL3048489 0.74 ALDH1A1 (0.57) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL25304122 0.73 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL11183813 0.72 ALDH1A1 (0.52) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL28362194 0.72 POLB (0.62) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL94347 0.72 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL10490780 0.72 KMT2A (0.59) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL87044 0.72 POLB (0.61) ALDH1A1MEN1KMT2ANPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006524645-A 2006-11-02 JP claimed
EP-1633726-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 Actimis Pharmaceuticals, Inc., (US) 2006-03-15 EP claimed
WO-2004096777-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2004-11-11 WO claimed