SCHEMBL4021899

SCHEMBL4021899

CCOC(=O)c1nc([N+](=O)[O-])c(C)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
RECQL P46063 2/20 0.49
HTT P42858 2/20 0.49
AR P10275 1/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPK1 P28482 1/20 0.40
MC4R P32245 1/20 0.40
PDE4D Q08499 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL5310538 0.84 MAPT (0.40) ALDH1A1HPGDKDM4EHTTPOLB
SCHEMBL5310322 0.78 LMNA (0.37) ALDH1A1KDM4EHTTPOLBCYP2C9
SCHEMBL20470659 0.76 ALDH1A1 (0.57) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL4704965 0.73 ALDH1A1 (0.73) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL2823066 0.73 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL2826264 0.73 ALDH1A1 (0.54) ALDH1A1HPGDKDM4ERECQLHTT
Hydrochloric Acid SCHEMBL5741760 0.72 ALDH1A1 (0.71) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL31074740 0.71 ALDH1A1 (0.43) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL1595448 0.71 MITF (0.44) ALDH1A1HPGDKDM4ERECQLHTT
SCHEMBL28458039 0.70 PKN1 (0.47) ALDH1A1HPGDKDM4ERECQLHTT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025076181-A1 METHODS AND COMPOUNDS FOR MODULATING HUNTINGTON'S DISEASE Design Therapeutics, Inc. (US) 2025-04-10 WO disclosed
EP-4100404-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2022-12-14 EP disclosed
WO-2021158707-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2021-08-12 WO disclosed
EP-1587529-A4 ANTIBACTERIAL COMPOUNDS HAVING A (PYRROLE CARBOXAMIDE)-(BENZAMIDE)-(IMIDAZOLE CARBOXAMIDE) MOTIF OSCIENT PHARMACEUTICALS CORP (US) 2009-08-12 EP disclosed
EP-1678133-A4 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIV WESTERN SYDNEY (AU) 2008-06-18 EP disclosed
EP-1678133-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES University of Western Sydney (AU) 2006-07-12 EP disclosed
EP-1007729-A4 COMPLEX FORMATION BETWEEN dsDNA AND OLIGOMER OF HETEROCYCLES CALIFORNIA INST OF TECHN (US) 2006-05-17 EP disclosed
EP-1587529-A2 ANTIBACTERIAL COMPOUNDS HAVING A (PYRROLE CARBOXAMIDE)-(BENZAMIDE)-(IMIDAZOLE CARBOXAMIDE) MOTIF Oscient Pharmaceuticals Corporation (US) 2005-10-26 EP disclosed
WO-2005033077-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIVERSITY OF WESTERN SYDNEY (AU) 2005-04-14 WO disclosed
WO-2004052304-A2 ANTIBACTERIAL COMPOUNDS HAVING A (PYRROLE CARBOXAMIDE)-(BENZAMIDE)-(IMIDAZOLE CARBOXAMIDE) MOTIF OSCIENT PHARMACEUTICALS CORPORATION (US) 2004-06-24 WO disclosed
WO-2002000650-A2 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2002-01-03 WO disclosed
WO-2001088160-A2 VECTORS FOR DNA DELIVERY ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI, S.P.A. (IT) 2001-11-22 WO disclosed
EP-1007729-A1 COMPLEX FORMATION BETWEEN dsDNA AND OLIGOMER OF HETEROCYCLES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-06-14 EP disclosed
EP-0991417-A1 COMPLEX FORMATION BETWEEN DSDNA AND OLIGOMER OF HETEROCYCLES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-04-12 EP disclosed
EP-0986539-A1 DNA-BINDING PYRROLE AND IMIDAZOLE POLYAMIDE DERIVATIVES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2000-03-22 EP 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-1998050582-A1 COMPLEX FORMATION BETWEEN dsDNA AND OLIGOMER OF HETEROCYCLES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-11-12 WO disclosed
WO-1998050058-A1 COMPLEX FORMATION BETWEEN DSDNA AND OLIGOMER OF HETEROCYCLES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-11-12 WO disclosed
WO-1998049142-A1 DNA-BINDING PYRROLE AND IMIDAZOLE POLYAMIDE DERIVATIVES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-11-05 WO 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