SCHEMBL8083585

SCHEMBL8083585

O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCCCO

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 4/20 0.59
MAPK1 P28482 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MEN1 O00255 2/20 0.58
HTT P42858 2/20 0.58
KMT2A Q03164 2/20 0.58
RGS12 O14924 1/20 0.58
NPC1 O15118 1/20 0.58
LMNA P02545 1/20 0.58
PABPC1 P11940 1/20 0.58
RECQL P46063 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALOX5 P09917 1/20 0.56
ACHE P22303 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55

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
SCHEMBL13486978 0.99 POLB (0.67) POLBKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL3586091 0.90 POLB (0.62) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL13202235 0.86 ACHE (0.58) POLBALOX5ACHECA12CA1
SCHEMBL9370970 0.86 ALOX5 (0.56) POLBALOX5ACHECA12CA1
SCHEMBL4231048 0.85 SMN1; SMN2 (0.62) POLBKDM4EALDH1A1HSD17B10MEN1
SCHEMBL13202079 0.84 ACHE (0.57) POLBALOX5ACHECA12CA1
SCHEMBL1573660 0.84 ACHE (0.57) POLBALOX5ACHECA12CA1
SCHEMBL8095237 0.84 ACHE (0.57) POLBALOX5ACHECA12CA1
SCHEMBL1569306 0.84 ACHE (0.60) POLBALOX5ACHECA12CA1
SCHEMBL917824 0.84 SMN1; SMN2 (0.64) POLBKDM4EHSD17B10MEN1KMT2A

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 6 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
US-5719295-A FROM N-ALKYL NITROPHTHALAMIDE GENERAL ELECTRIC COMPANY (US) 1998-02-17 US disclosed
US-5536846-A NITRATION, PURIFICATION, LIQUID EXTRACTION, DRYING AND PURIFICATION THEN REACTION WITH ALKALI METAL BISPHENOL AND TRANSFORMATION GENERAL ELECTRIC COMPANY (US) 1996-07-16 US disclosed
EP-0684232-A1 Process for preparing bis(ether anhydrides) GENERAL ELECTRIC COMPANY (US) 1995-11-29 EP disclosed