SCHEMBL28007100

SCHEMBL28007100

O=C(O)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 3/20 0.55
CSNK2B P67870 3/20 0.55
CSNK2A1 P68400 3/20 0.55
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 1/20 0.50
RAB9A P51151 3/20 0.49
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL16817718 0.88 CSNK2A2 (0.64) CSNK2A2CSNK2BCSNK2A1GAAMGAM
SCHEMBL8880665 0.82 MGAM (0.56) CSNK2A2CSNK2BCSNK2A1GAAMGAM
SCHEMBL12473276 0.82 HDAC6 (0.48) CSNK2A2CSNK2BCSNK2A1GAAMGAM
SCHEMBL17667667 0.78 GUSB (0.43) GAAMAPTMEN1KMT2ALMNA
SCHEMBL12503674 0.78 XDH (0.49) CSNK2A2CSNK2BCSNK2A1GAAHDAC1
SCHEMBL8879960 0.78 CSNK2A2 (0.57) CSNK2A2CSNK2BCSNK2A1GAAMGAM
SCHEMBL21229137 0.78 XDH (0.49) CSNK2A2CSNK2BCSNK2A1GAAMGAM
SCHEMBL4468253 0.78 CSNK2A2 (0.77) CSNK2A2CSNK2BCSNK2A1GAAMGAM
SCHEMBL28850576 0.77 MGAM (0.65) CSNK2A2CSNK2BCSNK2A1GAAMGAM
SCHEMBL27930311 0.75 CSNK2A2 (0.51) CSNK2A2CSNK2BCSNK2A1GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104395324-B Mi Zuo Bing oxadiazoles and imidazo thiadiazoles derivative 阿瑞斯贸易股份有限公司 2017-09-12 CN disclosed
CN-104395324-A Imidazo-oxadiazole and imidazo-thiadiazole derivatives ARES TRADING SA 2015-03-04 CN disclosed