SCHEMBL5317873

SCHEMBL5317873

Cc1ccc(Oc2ccc([N+](=O)[O-])c(C)c2)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 7/20 0.45
GAA P10253 1/20 0.45
AR P10275 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5321473 0.86 HSPB1 (0.49) KMT2AL3MBTL1MEN1POLBTSHR
SCHEMBL30073074 0.84 MEN1 (0.49) KMT2AL3MBTL1MEN1POLBTSHR
SCHEMBL18956866 0.84 MEN1 (0.49) KMT2AL3MBTL1MEN1POLBTSHR
SCHEMBL5606789 0.81 HSPB1 (0.52) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL2538774 0.81 TSHR (0.52) KMT2AL3MBTL1MEN1POLBTSHR
SCHEMBL20240569 0.78 TSHR (0.49) KMT2AL3MBTL1MEN1POLBTSHR
SCHEMBL30970189 0.77 MAPT (0.52) KMT2AL3MBTL1MEN1POLBTSHR
SCHEMBL2539419 0.77 MAPT (0.56) KMT2AL3MBTL1MEN1POLBTSHR
SCHEMBL2535336 0.77 HSD17B10 (0.53) KMT2AL3MBTL1MEN1POLBTSHR
SCHEMBL14363505 0.75 ALDH1A1 (0.55) KMT2AL3MBTL1MEN1POLBCYP3A4

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
WO-2007079173-A2 NOVEL 2-HETEROARYLOXY-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT BIOSOLUTIONS INC. (US) 2007-07-12 WO disclosed