SCHEMBL6779141

SCHEMBL6779141

CCC(C)Cn1cc([N+](=O)[O-])cc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
HPGD P15428 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL8100794 0.81 MAPT (0.42) GAAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL31211326 0.79 SMN1; SMN2 (0.40) GAAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL5680354 0.78 NPC1 (0.45) SMN1; SMN2HTTMAPTKMT2APOLB
SCHEMBL2388875 0.73 MEN1 (0.44) ALDH1A1SMN1; SMN2HTTMAPTKMT2A
SCHEMBL5676515 0.72 GAA (0.36) GAAALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL5680368 0.72 AR (0.38) GAAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL18397436 0.72 POLB (0.42) GAAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL1160576 0.72 MEN1 (0.43) GAAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL20644783 0.72 MEN1 (0.39) GAAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL20644817 0.72 MEN1 (0.39) GAAALDH1A1SMN1; SMN2HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683189-B1 POLYAMIDE-OLIGONUCLEOTIDE CONJUGATES; NETROPSIN AND DISTAMYCIN A SYNTHESIS CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-01-27 US disclosed
US-6545162-B1 Solid phase biosynthesis of viricide antibiotic CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-04-08 US disclosed
EP-0885189-B9 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INST OF TECHN (US) 2003-04-02 EP disclosed
EP-0885189-B1 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INST OF TECHN (US) 2002-08-28 EP disclosed
US-6090947-A Method for the synthesis of pyrrole and imidazole carboxamides on a solid support CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-07-18 US disclosed
EP-0885189-A2 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-12-23 EP disclosed
WO-1997030975-A2 METHOD FOR THE SYNTHESIS OF POLY-PYRROLE AND POLY-IMIDAZOLE CARBOXAMIDES ON A SOLID SUPPORT CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-08-28 WO disclosed