SCHEMBL6773649

SCHEMBL6773649

COC(=O)c1[nH]ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ABCC4 O15439 1/20 0.43
PLIN1 O60240 1/20 0.43
CACNA1F O60840 1/20 0.43
GMNN O75496 1/20 0.43
KCNK2 O95069 1/20 0.43
ABCB11 O95342 1/20 0.43
GSR P00390 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL27720962 0.82 NPSR1 (0.37) MAPTKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4936434 0.78 TSHR (0.44) KMT2AALDH1A1LMNACYP1A2CYP2C9
Ammonia Solution, Strong SCHEMBL16243724 0.77 TSHR (0.43) KMT2AALDH1A1LMNACYP1A2CYP2C9
SCHEMBL4482331 0.75 MEN1 (0.51) MAPTKMT2AALDH1A1SMN1; SMN2ADORA3
SCHEMBL4703943 0.75 KMT2A (0.43) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL20568749 0.73 MAPT (0.40) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9229236 0.72 ALDH1A1 (0.36) MAPTALDH1A1SMN1; SMN2LMNATP53
SCHEMBL256714 0.72 CNR2 (0.44) ALDH1A1KDM4ELMNACYP3A4TSHR
SCHEMBL2937272 0.72 CA12 (0.47) MAPTKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL69393 0.72 NR4A2 (0.44) ALDH1A1KDM4ELMNATSHRHSD17B10

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