SCHEMBL5282389

SCHEMBL5282389

O=C(CC1(c2ccccc2)N=NN=N1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 4/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CDC25B P30305 1/20 0.41

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
SCHEMBL5282555 0.90 LMNA (0.49) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL5284001 0.88 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL5287640 0.79 POLB (0.41) ALDH1A1MAPK1KMT2APOLBMEN1
SCHEMBL5284849 0.79 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL5291028 0.76 PKM (0.47) ALDH1A1KMT2AMAPTCYP2C19
SCHEMBL294341 0.75 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL217571 0.74 ALDH1A1 (0.77) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL8069055 0.74 ALDH1A1 (0.70) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
Bicarbonate SCHEMBL23001581 0.72 ALDH1A1 (0.74) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL338280 0.72 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1KMT2ATDP1

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-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed