SCHEMBL13379397

SCHEMBL13379397

CC(C)(C)c1cc(-c2nc(-c3ccccc3)no2)c(O)c(-c2cccc3ccccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.62
MAPT P10636 7/20 0.62
MAPK1 P28482 6/20 0.62
ALDH1A1 P00352 5/20 0.62
HPGD P15428 5/20 0.62
KDM4E B2RXH2 4/20 0.62
L3MBTL1 Q9Y468 4/20 0.62
TP53 P04637 4/20 0.62
HSD17B10 Q99714 3/20 0.62
NFKB1 P19838 3/20 0.62
NFKB2 Q00653 3/20 0.62
RELA Q04206 3/20 0.62
TSHR P16473 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
ATM Q13315 1/20 0.62
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
LMNA P02545 2/20 0.52
CHUK O15111 2/20 0.50
TXNRD1 Q16881 2/20 0.50

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
SCHEMBL13379428 0.92 SMN1; SMN2 (0.49) SMN1; SMN2MAPTMAPK1ALDH1A1HPGD
SCHEMBL13379331 0.91 ALDH1A1 (0.55) SMN1; SMN2MAPTMAPK1ALDH1A1HPGD
SCHEMBL13606260 0.91 SMN1; SMN2 (0.52) SMN1; SMN2MAPTMAPK1ALDH1A1HPGD
SCHEMBL13606263 0.90 SMN1; SMN2 (0.52) SMN1; SMN2MAPTMAPK1ALDH1A1HPGD
SCHEMBL13379432 0.88 SMN1; SMN2 (0.48) SMN1; SMN2MAPTMAPK1ALDH1A1HPGD
SCHEMBL13379323 0.87 GPR55 (0.55) SMN1; SMN2MAPTMAPK1ALDH1A1HPGD
SCHEMBL13379446 0.87 ALDH1A1 (0.50) SMN1; SMN2MAPTMAPK1ALDH1A1HPGD
SCHEMBL13379394 0.87 ALDH1A1 (0.44) SMN1; SMN2MAPTMAPK1ALDH1A1HPGD
SCHEMBL13379396 0.86 SMN1; SMN2 (0.43) SMN1; SMN2MAPTMAPK1ALDH1A1HPGD
SCHEMBL13379333 0.83 KDM4E (0.44) SMN1; SMN2MAPTMAPK1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2764053-B1 IRON(II) CONTAINING COMPLEX AND CONDENSATION REACTION CATALYSTS, METHODS FOR PREPARING THE CATALYSTS, AND COMPOSITIONS CONTAINING THE CATALYSTS DOW CORNING (US) 2017-03-15 EP disclosed
US-9328205-B2 Iron(III) containing complex and condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2016-05-03 US disclosed
US-9328205-B2 Iron(III) containing complex and condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2016-05-03 US disclosed
US-9156948-B2 Iron(II) containing complex and condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2015-10-13 US disclosed
US-9156948-B2 Iron(II) containing complex and condensation reaction catalysts, methods for preparing the catalysts, and compositions containing the catalysts DOW CORNING CORPORATION (US) 2015-10-13 US disclosed
US-20140371056-A1 Iron(III) Containing Complex and Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW COMING CORPORATION (US) 2014-12-18 US disclosed
US-20140371056-A1 Iron(III) Containing Complex and Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW COMING CORPORATION (US) 2014-12-18 US disclosed
US-20140296467-A1 Iron(II) Containing Complex and Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW CORNING CORPORATION (US) 2014-10-02 US disclosed
US-20140296467-A1 Iron(II) Containing Complex and Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts DOW CORNING CORPORATION (US) 2014-10-02 US disclosed
WO-2013052588-A1 IRON(II) CONTAINING COMPLEX AND CONDENSATION REACTION CATALYSTS, METHODS FOR PREPARING THE CATALYSTS, AND COMPOSITIONS CONTAINING THE CATALYSTS DOW CORNING CORPORATION (US) 2013-04-11 WO disclosed
WO-2013052585-A2 IRON(III) CONTAINING COMPLEX AND CONDENSATION REACTION CATALYSTS, METHODS FOR PREPARING THE CATALYSTS, AND COMPOSITIONS CONTAINING THE CATALYSTS DOW CORNING CORPORATION (US) 2013-04-11 WO disclosed
US-7705157-B2 Phenol-heterocyclic ligands, metal complexes, and their uses as catalysts SYMYX SOLUTIONS, INC. (US) 2010-04-27 US disclosed
US-20100048841-A1 PHENOL-HETEROCYCLIC LIGANDS, METAL COMPLEXES, AND THEIR USES AS CATALYSTS SYMYX SOLUTIONS, INC. (US) 2010-02-25 US disclosed