SCHEMBL4754065

SCHEMBL4754065

[c]1nc(NCc2ccccc2)c2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.62
PDE5A O76074 4/20 0.62
RAD52 P43351 2/20 0.61
KMT2A Q03164 4/20 0.59
LMNA P02545 2/20 0.59
GALR3 O60755 2/20 0.59
NR2F2 P24468 2/20 0.59
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
PKM P14618 1/20 0.59
UBE2N P61088 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RCE1 Q9Y256 1/20 0.59
EGFR P00533 1/20 0.59
RAB9A P51151 1/20 0.59
MAPK1 P28482 2/20 0.58
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL3113122 0.77 APP (1.00) APPPDE5ARAD52KMT2ALMNA
SCHEMBL29388255 0.77 APP (1.00) APPPDE5ARAD52KMT2ALMNA
SCHEMBL12175837 0.76 RAD52 (1.00) APPPDE5ARAD52KMT2ALMNA
SCHEMBL24312413 0.75 CYP1A2 (0.68) APPPDE5ARAD52KMT2ALMNA
SCHEMBL29386010 0.75 EGFR (1.00) APPPDE5ARAD52KMT2ALMNA
SCHEMBL7612718 0.75 EGFR (1.00) APPPDE5ARAD52KMT2ALMNA
SCHEMBL4757235 0.74 ABCG2 (0.56) PDE5AKMT2ALMNAKDM4EALDH1A1
SCHEMBL13009791 0.73 APP (1.00) APPPDE5ARAD52KMT2ALMNA
SCHEMBL3977315 0.73 RAD52 (0.71) APPPDE5ARAD52KMT2ALMNA
Hydrochloric Acid SCHEMBL8178476 0.73 LMNA (1.00) APPRAD52KMT2ALMNAGALR3

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-2008154905-A2 MODIFICATIONS OF THE HISTONE DEACETYLASE INHIBITOR SUBEROYLANILIDE HYDROXAMIC ACID SCHEBO BIOTECH AG (DE) 2008-12-24 WO disclosed