SCHEMBL5553628

SCHEMBL5553628

COc1nc(NCCN)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
MAPT P10636 5/20 0.42
KDM4E B2RXH2 1/20 0.41
MERTK Q12866 1/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
KAT2B Q92831 4/20 0.39
HTR6 P50406 1/20 0.39
CYP2D6 P10635 1/20 0.38
TXNRD1 Q16881 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL19172520 0.86 LMNA (0.51) MAPTKDM4EMERTKGAALMNA
SCHEMBL7018840 0.83 MERTK (0.42) MAPTMERTKTXNRD1KMT2A
SCHEMBL25289487 0.81 MERTK (0.44) MAPTMERTKTXNRD1
SCHEMBL4669978 0.80 MAPT (0.46) MAPTKDM4EGAAGLAKAT2B
SCHEMBL16931464 0.76 LMNA (0.49) MAPTKDM4ELMNAKMT2A
SCHEMBL25637893 0.75 BRD4 (0.47) MAPTMERTKTXNRD1LMNAKMT2A
SCHEMBL9794390 0.75 TXNRD1 (0.50) MAPTTXNRD1
SCHEMBL23552720 0.75 SYK (0.41) SYKKDM4E
SCHEMBL19172436 0.74 LMNA (0.47) MAPTKDM4EGAATXNRD1LMNA
SCHEMBL25637792 0.73 CYP1A2 (0.49) MAPTKDM4EGAAGLACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490093-A4 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-04-11 EP disclosed
EP-1490093-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA CHIRON CORPORATION (US) 2004-12-29 EP disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 EP disclosed
WO-2003074072-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIA CHIRON CORPORATION (US) 2003-09-12 WO disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed