SCHEMBL8090169

SCHEMBL8090169

CCCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
CA4 P22748 1/20 0.56
CA12 O43570 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ACHE P22303 1/20 0.50
ATM Q13315 1/20 0.49
ALDH1A1 P00352 3/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
PABPC1 P11940 1/20 0.48
CCR6 P51684 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL8090181 0.95 CA1 (0.58) POLBCA1CA2CA9CA4
SCHEMBL11307275 0.93 POLB (0.64) POLBCA1CA2CA9CA4
SCHEMBL11314968 0.92 CA1 (0.63) POLBCA1CA2CA9CA4
SCHEMBL8091427 0.89 CA1 (0.60) POLBCA1CA2CA9CA4
SCHEMBL30632396 0.87 POLB (0.58) POLBCA1CA2CA9CA4
SCHEMBL4100327 0.87 POLB (0.52) POLBCA1CA2CA9CA4
SCHEMBL4231031 0.84 POLB (0.66) POLBCA1CA2CA9CA4
SCHEMBL30050782 0.83 CA1 (0.59) CA1CA2CA9CA4CA12
SCHEMBL4375792 0.83 CA1 (0.59) CA1CA2CA9CA4CA12
SCHEMBL4231020 0.82 POLB (0.64) POLBCA1CA2CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1059291-A2 Process for preparing bis(ether anhydrides) GENERAL ELECTRIC COMPANY (US) 2000-12-13 EP disclosed
US-6008374-A REACTING N-ALKYL NITROPHTHALIMIDE AND A BISPHENOL ALKALI METAL SALT TO FORM BISIMIDE, EXTRACTING THE FORMED BISIMIDE GENERAL ELECTRIC COMPANY (US) 1999-12-28 US disclosed
US-5936099-A N-ALKYL PHTHALAMIDES BY REACTING LIQUID (C3-C6)ALKYLAMINES AND PHTHALIC ANHYDRIDE; NITRATION FOLLOWED BY REACTING WITH A BISPHENOL A; EXCHANGE REACTION TO FORM DIANHYDRIDE; HYDROLYSIS TO PRODUCE TETRACID MONOMER FOR POLYETHERIMIDES GENERAL ELECTRIC CO. (US) 1999-08-10 US disclosed
EP-0684232-A1 Process for preparing bis(ether anhydrides) GENERAL ELECTRIC COMPANY (US) 1995-11-29 EP disclosed