SCHEMBL17260474

SCHEMBL17260474

O=C(Nc1nc(N(C(=O)OC(c2ccccc2)c2ccccc2)c2n[c]nc3nc[nH]c23)nc2nc[nH]c12)OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
RECQL P46063 2/20 0.33
CDK1 P06493 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CCNB1 P14635 1/20 0.33
MGMT P16455 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL5860314 0.79 POLB (0.45) MAPTMAPK1ALDH1A1LMNACYP1A2
SCHEMBL5858886 0.76 BRD4 (0.42) GAALMNACYP3A4
SCHEMBL6753015 0.69 BRD4 (0.62) MAPTMAPK1LMNACYP1A2CYP2D6
SCHEMBL18941364 0.67 POLB (0.46) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL28900810 0.66 BRD4 (0.62) MAPK1LMNACYP1A2CYP2D6TSHR
SCHEMBL9435393 0.65 PIN1 (0.58) HDAC1HDAC2CDK1LMNACYP1A2
SCHEMBL8583453 0.65 GDA (0.57)
SCHEMBL5841120 0.65 TP53 (0.49) MAPTPOLB
SCHEMBL18941373 0.63 LMNA (0.33) MAPTTDP1MAPK1ALDH1A1LMNA
SCHEMBL8606310 0.62 ADORA3 (0.44) CDK1LMNACYP1A2CYP3A4CYP2D6

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
EP-3143038-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS Ugisense AG (DE) 2017-03-22 EP claimed
WO-2015172889-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS UGICHEM GMBH (AT) 2015-11-19 WO claimed