SCHEMBL6087097

SCHEMBL6087097

Nc1nc(NCCNc2ccc([N+](=O)[O-])c(NCc3ccccc3)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 2/20 0.54
MAPT P10636 6/20 0.53
HTT P42858 3/20 0.50
LMNA P02545 3/20 0.49
MAPK1 P28482 2/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 1/20 0.48
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
EGFR P00533 1/20 0.46
HTR6 P50406 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 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
SCHEMBL5759562 0.89 POLB (0.55) SIRT5MAPTHTTLMNAMAPK1
SCHEMBL5100068 0.83 SMN1; SMN2 (0.70) SIRT5MAPTHTTLMNAALDH1A1
SCHEMBL7853508 0.81 MAPT (0.58) SIRT5MAPTHTTLMNAMAPK1
SCHEMBL8040592 0.79 KAT2B (0.52) SIRT5
SCHEMBL5100065 0.79 POLB (0.49) SIRT5MAPTHTTLMNAPOLB
SCHEMBL7843791 0.79 SIRT5 (0.45) SIRT5MAPTHTTLMNAMAPK1
SCHEMBL6069366 0.77 GSK3B (0.46) MAPTPOLB
SCHEMBL4669978 0.76 MAPT (0.46) MAPTLMNAHTR6KDM4EKMT2A
SCHEMBL3612966 0.76 POLB (0.43) SIRT5MAPTALDH1A1POLB
SCHEMBL317861 0.76 HTT (0.53) MAPTHTTLMNAMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 US disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US disclosed