SCHEMBL12644392

SCHEMBL12644392

Cc1cc(/N=N/c2ccc(C(O)Oc3ccc([N+](=O)[O-])cc3)nc2)cc(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 5/20 0.41
▸ MEN1 O00255 10/20 0.37
▸ KMT2A Q03164 10/20 0.37
▸ MAPT P10636 7/20 0.37
▸ HTT P42858 6/20 0.37
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ HSP90AA1 P07900 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PPARD Q03181 2/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL12644453 0.88 BRD4 (0.41) BRD4MEN1KMT2AMAPTHTT
SCHEMBL19387713 0.86 MAPT (0.37) MEN1KMT2AMAPTHTTNPC1
SCHEMBL12644242 0.84 MEN1 (0.42) BRD4MEN1KMT2AMAPTHTT
SCHEMBL19099695 0.78 MEN1 (0.40) BRD4MEN1KMT2AMAPTHTT
SCHEMBL13551972 0.77 ALDH1A1 (0.46) BRD4MEN1KMT2AMAPTALDH1A1
SCHEMBL12644388 0.76 MAPT (0.39) MEN1KMT2AMAPTHTTNPC1
SCHEMBL13551999 0.76 HGFAC (0.46) BRD4MEN1KMT2AMAPTHTT
SCHEMBL19387677 0.74 HTR2A (0.37) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL12644514 0.72 MAPT (0.42) BRD4MEN1KMT2AMAPTALDH1A1
SCHEMBL13552104 0.71 HGFAC (0.60) MEN1KMT2AMAPTALDH1A1MAPK1

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-2011075210-A2 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 — — WO disclosed
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