SCHEMBL13375210

SCHEMBL13375210

O=[N+]([O-])c1cn(C2CCCCO2)nc1-c1nc2cc(CO)ccc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.35
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
NFKB1 P19838 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5952354 0.84 MAPT (0.37) ABL1MAPTALDH1A1MAPK1KDM5B
SCHEMBL5952661 0.82 ABL1 (0.35) ABL1KDM5B
SCHEMBL13375334 0.82 ABL1 (0.34) ABL1
SCHEMBL13375330 0.82 ABL1 (0.34) ABL1KDM5B
SCHEMBL5952646 0.82 ABL1 (0.33) ABL1KDM5B
SCHEMBL5952614 0.79 MAPT (0.34) ABL1MAPTALDH1A1KDM5BNPC1
SCHEMBL13373566 0.78 SYK (0.35) ABL1MAPTALDH1A1KDM5BLMNA
SCHEMBL3934079 0.77 FGFR1 (0.45) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL5578155 0.76 KMT2A (0.42) MAPTALDH1A1
SCHEMBL3926150 0.76 MAPT (0.41) ABL1MAPTALDH1A1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed