SCHEMBL8664384

SCHEMBL8664384

Cc1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.59
CA9 Q16790 3/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
ALDH1A1 P00352 4/20 0.55
SCN2A Q99250 2/20 0.52
PTPN7 P35236 1/20 0.50
PTPN22 Q9Y2R2 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CASP1 P29466 2/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.46
CASP4 P49662 1/20 0.46

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
SCHEMBL6584675 0.89 CA12 (0.61) CA12CA9CA1CA2ALDH1A1
SCHEMBL11726838 0.85 CA12 (0.50) CA12CA9CA1CA2ALDH1A1
SCHEMBL28911652 0.84 CA12 (0.70) CA12CA9CA1CA2ALDH1A1
SCHEMBL9468297 0.84 SCN2A (0.64) CA12CA9CA1CA2ALDH1A1
SCHEMBL28960739 0.83 CA12 (0.64) CA12CA9CA1CA2ALDH1A1
SCHEMBL18806465 0.83 RECQL (0.62) CA12ALDH1A1SCN2AMEN1KMT2A
SCHEMBL11623903 0.83 ALDH1A1 (0.55) CA12CA9CA1CA2ALDH1A1
SCHEMBL11723680 0.83 AR (0.51) CA12CA9CA1CA2ALDH1A1
SCHEMBL11721609 0.81 CA12 (0.46) CA12CA9CA1CA2ALDH1A1
SCHEMBL11724682 0.81 ALDH1A1 (0.53) CA12ALDH1A1KMT2AMAPTRECQL

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-0853635-A1 BRANCHED BLOCK ETHYLENE POLYMERS, THEIR PREPARATION AND COMPOSITIONS COMPRISING THE SAME THE DOW CHEMICAL COMPANY (US) 1998-07-22 EP disclosed
WO-1997012919-A1 BRANCHED BLOCK ETHYLENE POLYMERS, THEIR PREPARATION AND COMPOSITIONS COMPRISING THE SAME THE DOW CHEMICAL COMPANY (US) 1997-04-10 WO disclosed